SCHEMBL1947682

SCHEMBL1947682

Nc1nc(C(=NOC(c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)NC2C(=O)N3C(C(=O)OC(c4ccccc4)c4ccccc4)=C(C=O)CSC23)ns1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.43
▸ TDP1 Q9NUW8 7/20 0.40
▸ APAF1 O14727 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ APEX1 P27695 1/20 0.40
▸ PLCG1 P19174 1/20 0.40
▸ ABCC2 Q92887 1/20 0.40
▸ SIRT5 Q9NXA8 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ MAPT P10636 6/20 0.40
▸ CTDSP1 Q9GZU7 2/20 0.40
▸ ABCC4 O15439 1/20 0.40
▸ CNR1 P21554 1/20 0.40
▸ PSMD14 O00487 1/20 0.40
▸ MMP2 P08253 1/20 0.40
▸ NR1I2 O75469 3/20 0.38
▸ ESR1 P03372 1/20 0.38
▸ PGR P06401 1/20 0.38
▸ PPARG P37231 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2595984 1.00 KCNH2 (0.43) KCNH2TDP1APAF1LMNATSHR
SCHEMBL14773851 1.00 KCNH2 (0.43) KCNH2TDP1APAF1LMNATSHR
SCHEMBL17188207 0.95 TDP1 (0.47) KCNH2TDP1APAF1LMNATSHR
SCHEMBL16181564 0.91 HSD17B10 (0.46) KCNH2TDP1LMNAPLCG1L3MBTL1
SCHEMBL2595314 0.90 KCNH2 (0.44) KCNH2TDP1APAF1LMNATSHR
SCHEMBL2595316 0.90 KCNH2 (0.44) KCNH2TDP1APAF1LMNATSHR
SCHEMBL14773850 0.90 KCNH2 (0.44) KCNH2TDP1APAF1LMNATSHR
SCHEMBL14959767 0.89 KCNH2 (0.35) KCNH2TDP1APAF1LMNATSHR
SCHEMBL12334104 0.89 KCNH2 (0.35) KCNH2TDP1APAF1LMNATSHR
SCHEMBL12306316 0.89 KCNH2 (0.35) KCNH2TDP1APAF1LMNATSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9163034-B2 Crystalline (6R,7R)-7-{2-(5-amino-[1,2,4] thiadiazol-3-yl)-2-[(Z)-trityloxyimino]-acetylamino}-3-[(R)-1′-tert-butoxycarbonyl-2-oxo-[1,3′]bipyrrolidinyl-(3E)-ylidenemethyl]-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester; its manufacture and use BASILEA PHARMACEUTICA AG (CH) 2015-10-20 — — US claimed
US-20150005491-A1 CRYSTALLINE (6R,7R)-7--3- [(R)-1'-TERT-BUTOXYCARBONYL-2-OXO-[1,3']BIPYRROLIDINYL-(3E)-YLIDENEMETHYL]-8-OXO-5-THIA-1-AZA-BICYCLO[4.2.0] OCT-2-ENE-2-CARBOXYLIC ACID BENZHYDRYL ESTER; ITS MANUFACTURE AND USE BASILEA PHARMACEUTICA AG (CH) 2015-01-01 — — US claimed
EP-2268648-B1 Crystalline (6R,7R)-7-{2-(5-Amino-[1,2,4]thiadiazol-3-yl)-2-[(Z)-trityloxyimino]-acetylamino}-3-[(R)-1'-tert- butoxycarbonyl-2-oxo-[1,3]bipyrrolidinyl-(3E)-ylidenemethyl]-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester; its manufacture and use BASILEA PHARMACEUTICA AG (CH) 2012-05-16 — — EP claimed
US-20110137026-A1 Crystalline (6r,7r)-7--3- [(R)-1'-Tert-Butoxycarbonyl-2-Oxo-[1,3']Bipyrrolidinyl-(3e)-Ylidenemethyl]-8-Oxo-5-Thia-1-Aza-Bicyclo[4.2.0] Oct-2-Ene-2-Carboxylic Acid Benzhydryl Ester; Its Manufacture and Use BASILEA PHARMACEUTICA AG (CH) 2011-06-09 — — US claimed
US-9499566-B2 Oxidation process for preparing 3-formyl-cephem derivatives Basilea Pharmaceutica International (CH) 2016-11-22 — — US disclosed
US-9163034-B2 Crystalline (6R,7R)-7-{2-(5-amino-[1,2,4] thiadiazol-3-yl)-2-[(Z)-trityloxyimino]-acetylamino}-3-[(R)-1′-tert-butoxycarbonyl-2-oxo-[1,3′]bipyrrolidinyl-(3E)-ylidenemethyl]-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester; its manufacture and use BASILEA PHARMACEUTICA AG (CH) 2015-10-20 — — US disclosed
US-20150218189-A1 Oxidation Process For Preparing 3-Formyl-Cephem Derivatives BASILEA PHARMACEUTICA AG 2015-08-06 — — US disclosed
US-9006422-B2 Oxidation process for preparing 3-formyl-cephem derivatives BASILEA PHARMACEUTICA INTERNATIONAL LTD. (CH) 2015-04-14 — — US disclosed
EP-2569321-B1 OXIDATION PROCESS FOR PREPARING 3-FORMYL-CEPHEM DERIVATIVES BASILEA PHARMACEUTICA INTERNAT LTD (CH) 2015-03-04 — — EP disclosed
US-20150005491-A1 CRYSTALLINE (6R,7R)-7--3- [(R)-1'-TERT-BUTOXYCARBONYL-2-OXO-[1,3']BIPYRROLIDINYL-(3E)-YLIDENEMETHYL]-8-OXO-5-THIA-1-AZA-BICYCLO[4.2.0] OCT-2-ENE-2-CARBOXYLIC ACID BENZHYDRYL ESTER; ITS MANUFACTURE AND USE BASILEA PHARMACEUTICA AG (CH) 2015-01-01 — — US disclosed
US-8865697-B2 Crystalline (6R,7R)-7-{2-(5-amino-[1,2,4] thiadiazol-3-yl)-2-[(Z)-trityloxyimino]-acetylamino}-3-[(R)-1′-tert-butoxycarbonyl-2-oxo-[1,3′]bipyrrolidinyl-(3E)-ylidenemethyl]-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester; its manufacture and use BASILEA PHARMACEUTICA AG (CH) 2014-10-21 — — US disclosed
EP-2569321-A1 OXIDATION PROCESS FOR PREPARING 3-FORMYL-CEPHEM DERIVATIVES Basilea Pharmaceutica International Ltd. (CH) 2013-03-20 — — EP disclosed
US-20110137026-A1 Crystalline (6r,7r)-7--3- [(R)-1'-Tert-Butoxycarbonyl-2-Oxo-[1,3']Bipyrrolidinyl-(3e)-Ylidenemethyl]-8-Oxo-5-Thia-1-Aza-Bicyclo[4.2.0] Oct-2-Ene-2-Carboxylic Acid Benzhydryl Ester; Its Manufacture and Use BASILEA PHARMACEUTICA AG (CH) 2011-06-09 — — US disclosed
EP-1435357-B1 New process for the preparation of vinyl-pyrrolidinone cephalosporine derivatives BASILEA PHARMACEUTICA AG (CH) 2010-03-17 — — EP disclosed
EP-1289998-B1 NEW PROCESS FOR THE PREPARATION OF VINYL-PYRROLIDINONE CEPHALOSPORINE DERIVATIVES BASILEA PHARMACEUTICA AG (CH) 2005-03-30 — — EP disclosed
EP-1435357-A2 New process for the preparation of vinyl-pyrrolidinone cephalosporine derivatives Basilea Pharmaceutica AG (CH) 2004-07-07 — — EP disclosed
EP-1289998-A1 NEW PROCESS FOR THE PREPARATION OF VINYL-PYRROLIDINONE CEPHALOSPORINE DERIVATIVES Basilea Pharmaceutica AG (CH) 2003-03-12 — — EP disclosed
US-6504025-B2 In fewer steps and is obtained in higher yield; chemical intermediates; useful in treating methicillin resistent Staphylococcus aureus and Pseudomonas aeruginosa BASILEA PHARMACEUTICA AG (CH) 2003-01-07 — — US disclosed
US-20020019381-A1 Process for the preparation of vinyl-pyrrolidinone cephalosporin derivatives BASILEA PHARMACEUTICA AG (CH) 2002-02-14 — — US disclosed
WO-2001090111-A1 NEW PROCESS FOR THE PREPARATION OF VINYL-PYRROLIDINONE CEPHALOSPORINE DERIVATIVES BASILEA PHARMACEUTICA AG (CH) 2001-11-29 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150005491-A1 CRYSTALLINE (6R,7R)-7--3- [(R)-1'-TERT-BUTOXYCARBONYL-2-OXO-[1,3']BIPYRROLIDINYL-(3E)-YLIDENEMETHYL]-8-OXO-5-THIA-1-AZA-BICYCLO[4.2.0] OCT-2-ENE-2-CARBOXYLIC ACID BENZHYDRYL ESTER; ITS MANUFACTURE AND USE MED1, MED16, CYP2D6 KCNH2 3168/4885TDP1 1147/4885APAF1 4125/4885
US-20150218189-A1 Oxidation Process For Preparing 3-Formyl-Cephem Derivatives MAOB, TET2, TET1 KCNH2 987/4885TDP1 1481/4885APAF1 3359/4885
US-20020019381-A1 Process for the preparation of vinyl-pyrrolidinone cephalosporin derivatives DHPS, PEPD, VAT1 KCNH2 2122/4885TDP1 3016/4885APAF1 3266/4885
US-20110137026-A1 Crystalline (6r,7r)-7--3- [(R)-1'-Tert-Butoxycarbonyl-2-Oxo-[1,3']Bipyrrolidinyl-(3e)-Ylidenemethyl]-8-Oxo-5-Thia-1-Aza-Bicyclo[4.2.0] Oct-2-Ene-2-Carboxylic Acid Benzhydryl Ester; Its Manufacture and Use MED1, MED16, CYP2D6 KCNH2 3168/4885TDP1 1147/4885APAF1 4125/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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