SCHEMBL1010087

SCHEMBL1010087

O=C(COc1ccccc1)NC1C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)=C(O)CS[C@@H]12

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLCG1 P19174 1/20 0.68
L3MBTL1 Q9Y468 2/20 0.49
CTDSP1 Q9GZU7 2/20 0.47
ALDH1A1 P00352 1/20 0.45
TDP1 Q9NUW8 2/20 0.45
SPOP O43791 1/20 0.44
MAPK1 P28482 1/20 0.43
NAPEPLD Q6IQ20 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
PKM P14618 1/20 0.42
HTT P42858 1/20 0.42
DUSP3 P51452 1/20 0.42
PTPN5 P54829 1/20 0.42
PTPN11 Q06124 1/20 0.42
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL27938962 1.00 PLCG1 (0.68) PLCG1L3MBTL1CTDSP1ALDH1A1TDP1
SCHEMBL8533433 1.00 PLCG1 (0.68) PLCG1L3MBTL1CTDSP1ALDH1A1TDP1
SCHEMBL10820995 1.00 PLCG1 (0.68) PLCG1L3MBTL1CTDSP1ALDH1A1TDP1
SCHEMBL10840113 1.00 PLCG1 (0.68) PLCG1L3MBTL1CTDSP1ALDH1A1TDP1
Acetic Acid SCHEMBL10821202 0.98 PLCG1 (0.68) PLCG1L3MBTL1CTDSP1ALDH1A1TDP1
Acetic Acid SCHEMBL11098482 0.98 PLCG1 (0.68) PLCG1L3MBTL1CTDSP1ALDH1A1TDP1
Methylene Chloride SCHEMBL11134298 0.98 PLCG1 (0.65) PLCG1L3MBTL1CTDSP1ALDH1A1TDP1
Acetic Acid SCHEMBL10821201 0.98 PLCG1 (0.68) PLCG1L3MBTL1CTDSP1ALDH1A1TDP1
Propionic Acid SCHEMBL11138117 0.96 PLCG1 (0.66) PLCG1L3MBTL1CTDSP1ALDH1A1TDP1
SCHEMBL11731807 0.92 PLCG1 (0.62) PLCG1L3MBTL1CTDSP1ALDH1A1TDP1

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 45 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 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-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 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-2268648-A1 CRYSTALLINE (6R,7R)-7-{2-(5-AMINO-Ý1,2,4¨THIADIAZOL-3-YL)-2-Ý(Z)-TRITYLOXYIMINO¨-ACETYLAMINO}-3-Ý(R)-1'-TERT-BUTOXYCARBONYL-2-OXO-Ý1,3'¨BIPYRROLIDINYL-(3E)-YLIDENEMETHYL¨-8-OXO-5-THIA-1-AZA-BICYCLOÝ4.2.0¨OCT-2-ENE-2-CARBOXYLIC ACID BENZHYDRYL ESTER; ITS MANUFACTURE AND USE Basilea Pharmaceutica AG (CH) 2011-01-05 EP disclosed
WO-2009127623-A1 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) 2009-10-22 WO disclosed
US-5824801-A REACTING CORRESPONDING EXOMETHYLENE COMPOUND WITH OZONE, DECOMPOSITION WITHOUT REDUCING AGENT LUPIN LABORATORIES LTD. (IN) 1998-10-20 US disclosed
US-5750683-A CHEMICAL INTERMEDIATES FOR BIOSYNTHESIS OF CAPHALOISPORIN ANTIBIOTICS LUPIN LABORATORIES, LTD. (IN) 1998-05-12 US disclosed
EP-0015079-B1 HALOGENATING COMPOUNDS AND A PROCESS FOR THEIR PRODUCTION ELI LILLY AND COMPANY (US) 1987-09-09 EP disclosed
US-4160085-A Cyclization to form cephem ring and intermediates therefor SHIONOGI & CO., LTD. (JP) 1979-07-03 US disclosed
US-4133808-A 4-(Formylthio)azetidinones and ozonization process therefor ELI LILLY AND COMPANY (US) 1979-01-09 US disclosed
US-4115643-A Process for 3-chloro cephalosporins ELI LILLY AND COMPANY (US) 1978-09-19 US disclosed
US-4079181-A INTERMEDIATES FOR 3-HYDROXY-3-CEPHEM COMPOUNDS SHIONOGI & CO., LTD. (JA) 1978-03-14 US disclosed
US-4065618-A Process for 3-H-3-cephem esters ELI LILLY AND COMPANY (US) 1977-12-27 US disclosed
US-4065621-A Process for 3-alkyl and 3-phenyl cephalosporins ELI LILLY AND COMPANY (US) 1977-12-27 US disclosed
US-4060688-A Cephalosporin intermediates ELI LILLY AND COMPANY (US) 1977-11-29 US disclosed
US-4048157-A 4(Formylthio)-azetidin-2-ones and ozonization process therefor ELI LILLY AND COMPANY (US) 1977-09-13 US disclosed
US-4044002-A ACYL BROMIDES AND A BROMINE SCAVENGER ELI LILLY AND COMPANY (US) 1977-08-23 US disclosed
US-4013651-A 3-SUBSTITUTED AMINO-CEPHALOSPORINS ELI LILLY AND COMPANY (US) 1977-03-22 US 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 (2 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 PLCG1 4012/4885L3MBTL1 1803/4885CTDSP1 77/4885
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 PLCG1 4012/4885L3MBTL1 1803/4885CTDSP1 77/4885

“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.