SCHEMBL2595314

SCHEMBL2595314

Nc1nc(/C(=N/OC(c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)NC2C(=O)N3C(C(=O)OC(c4ccccc4)c4ccccc4)=C(CO)CSC23)ns1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.44
▸ NR1I2 O75469 5/20 0.42
▸ PPARG P37231 2/20 0.42
▸ PTGS1 P23219 2/20 0.42
▸ PGR P06401 2/20 0.42
▸ ESR1 P03372 2/20 0.42
▸ ABCB11 O95342 1/20 0.42
▸ PDE4D Q08499 1/20 0.42
▸ TDP1 Q9NUW8 8/20 0.41
▸ HSD17B10 Q99714 4/20 0.41
▸ HTR2C P28335 1/20 0.41
▸ ABCC4 O15439 2/20 0.41
▸ PDE4A P27815 1/20 0.41
▸ MAPT P10636 3/20 0.40
▸ ALB P02768 1/20 0.40
▸ SLC22A6 Q4U2R8 1/20 0.40
▸ SLC22A8 Q8TCC7 1/20 0.40
▸ SLC22A11 Q9NSA0 1/20 0.40
▸ KMT2A Q03164 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39

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
SCHEMBL2595316 1.00 KCNH2 (0.44) KCNH2NR1I2PPARGPTGS1PGR
SCHEMBL14773850 1.00 KCNH2 (0.44) KCNH2NR1I2PPARGPTGS1PGR
SCHEMBL16181564 0.91 HSD17B10 (0.46) KCNH2NR1I2PPARGPTGS1PGR
SCHEMBL14773851 0.90 KCNH2 (0.43) KCNH2NR1I2PPARGPTGS1PGR
SCHEMBL2595984 0.90 KCNH2 (0.43) KCNH2NR1I2PPARGPTGS1PGR
SCHEMBL1947682 0.90 KCNH2 (0.43) KCNH2NR1I2PPARGPTGS1PGR
SCHEMBL17188207 0.89 TDP1 (0.47) KCNH2NR1I2PPARGPTGS1PGR
SCHEMBL12306317 0.88 KCNH2 (0.35) KCNH2NR1I2PPARGPTGS1PGR
SCHEMBL14959764 0.88 KCNH2 (0.35) KCNH2NR1I2PPARGPTGS1PGR
SCHEMBL12334100 0.88 KCNH2 (0.35) KCNH2NR1I2PPARGPTGS1PGR

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9499566-B2 Oxidation process for preparing 3-formyl-cephem derivatives Basilea Pharmaceutica International (CH) 2016-11-22 — — 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
EP-2569321-A1 OXIDATION PROCESS FOR PREPARING 3-FORMYL-CEPHEM DERIVATIVES Basilea Pharmaceutica International Ltd. (CH) 2013-03-20 — — EP disclosed
US-20130066065-A1 OXIDATION PROCESS FOR PREPARING 3-FORMYL-CEPHEM DERIVATIVES Basilea Pharmaceutica International (CH) 2013-03-14 — — US disclosed
WO-2011141415-A1 OXIDATION PROCESS FOR PREPARING 3-FORMYL-CEPHEM DERIVATIVES BASILEA PHARMACEUTICA INTERNATIONAL LTD. (CH) 2011-11-17 — — WO 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
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

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

For each of this compound's patents that has machine-readable text (3 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-20130066065-A1 OXIDATION PROCESS FOR PREPARING 3-FORMYL-CEPHEM DERIVATIVES MAOB, TET2, TET1 KCNH2 987/4885NR1I2 4537/4885PPARG 3006/4885
US-20150218189-A1 Oxidation Process For Preparing 3-Formyl-Cephem Derivatives MAOB, TET2, TET1 KCNH2 987/4885NR1I2 4537/4885PPARG 3006/4885
US-20020019381-A1 Process for the preparation of vinyl-pyrrolidinone cephalosporin derivatives DHPS, PEPD, VAT1 KCNH2 2122/4885NR1I2 3183/4885PPARG 2752/4885

“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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