SCHEMBL3871785

SCHEMBL3871785

C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(c3cn4cnc(C(=O)c5cccnc5)c4s3)[C@H](C)[C@H]12

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.35
PTGS1 P23219 1/20 0.35
PDE4A P27815 1/20 0.35
ABCC2 Q92887 1/20 0.32
CCNA2 P20248 1/20 0.30
CDK2 P24941 1/20 0.30

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
SCHEMBL5233425 0.92 ESR1 (0.32) ESR1PTGS1PDE4A
SCHEMBL5235538 0.92 ESR1 (0.37) ESR1PTGS1PDE4AABCC2
SCHEMBL13764793 0.91 CCNA2 (0.30) CCNA2CDK2
SCHEMBL5232723 0.90 ESR1 (0.33) ESR1PTGS1PDE4AABCC2
SCHEMBL5231629 0.90 ESR1 (0.32) ESR1PTGS1PDE4A
SCHEMBL5232640 0.90 ESR1 (0.34) ESR1PTGS1PDE4AABCC2
SCHEMBL13764785 0.88
SCHEMBL5237067 0.88 ESR1 (0.33) ESR1PTGS1PDE4AABCC2
SCHEMBL5230193 0.86 ESR1 (0.33) ESR1PTGS1PDE4A
SCHEMBL13764757 0.85 CCNA2 (0.31) CCNA2CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7563901-B2 Intermediates of 2-substituted carbapenem derivatives and process for production thereof MEIJI SEIKA KAISHA, LTD. (JP) 2009-07-21 US disclosed
US-7524951-B2 Intermediates of 2-substituted carbapenem derivatives and process for production thereof MEIJI SEIKA KAISHA, LTD. (JP) 2009-04-28 US disclosed
US-20080167475-A1 Intermediates of 2-substituted carbapenem derivatives and process for production thereof SASAKI TOSHIRO 2008-07-10 US disclosed
US-20080076917-A1 Intermediates of 2-Substituted Carbapenem Derivatives and Process for Production Thereof MEIJI SEIKA KAISHA, LTD. (JP) 2008-03-27 US disclosed
EP-1336612-B1 NOVEL CARBAPENEM DERIVATIVES MEIJI SEIKA KAISHA (JP) 2007-01-17 EP disclosed
EP-1582522-A1 INTERMEDIATE FOR 2-SUBSTITUTED CARBAPENEM DERIVATIVE AND PRODUCTION PROCESS MEIJI SEIKA KAISHA LTD. (JP) 2005-10-05 EP disclosed
US-6908913-B2 Carbapenem derivatives MEIJI SEIKI KAISHA, LTD. (JP) 2005-06-21 US disclosed
US-20040038967-A1 Novel carbapenem derivatives MEIJI SEIKI KAISHA, LTD. (JP) 2004-02-26 US disclosed
EP-1336612-A1 NOVEL CARBAPENEM DERIVATIVES MEIJI SEIKA KAISHA LTD. (JP) 2003-08-20 EP 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-20080167475-A1 Intermediates of 2-substituted carbapenem derivatives and process for production thereof MGAM, G6PD, COASY ESR1 4035/4885PTGS1 1559/4885PDE4A 1053/4885
US-20080076917-A1 Intermediates of 2-Substituted Carbapenem Derivatives and Process for Production Thereof MGAM, G6PD, COASY ESR1 4035/4885PTGS1 1559/4885PDE4A 1053/4885
US-20040038967-A1 Novel carbapenem derivatives DHPS, HAMP, MCRS1 ESR1 4851/4885PTGS1 2667/4885PDE4A 987/4885

“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.