SCHEMBL6929089

SCHEMBL6929089

O=C(O)c1cccc(NC(=O)[C@@H]2C[C@H](S)CN2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ ESR1 P03372 1/20 0.52
▸ PTGS1 P23219 1/20 0.52
▸ PDE4A P27815 1/20 0.52
▸ APEX1 P27695 1/20 0.51
▸ GRIK1 P39086 1/20 0.48
▸ ABCC2 Q92887 1/20 0.48
▸ PPM1B O75688 1/20 0.46
▸ EPHX2 P34913 1/20 0.46
▸ PARP1 P09874 1/20 0.45
▸ PARP10 Q53GL7 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ NR1H4 Q96RI1 1/20 0.43

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
SCHEMBL881405 1.00 GAA (0.52) GAAALDH1A1KDM4EL3MBTL1ESR1
Hydrochloric Acid SCHEMBL15201265 0.99 GAA (0.51) GAAALDH1A1KDM4EL3MBTL1ESR1
SCHEMBL18710626 0.85 ESR1 (0.54) GAAALDH1A1KDM4EL3MBTL1ESR1
SCHEMBL21092645 0.85 ESR1 (0.54) GAAALDH1A1KDM4EL3MBTL1ESR1
SCHEMBL22251574 0.85 ESR1 (0.54) GAAALDH1A1KDM4EL3MBTL1ESR1
SCHEMBL18155287 0.85 ESR1 (0.54) GAAALDH1A1KDM4EL3MBTL1ESR1
SCHEMBL18710627 0.82 ESR1 (0.52) GAAALDH1A1KDM4EL3MBTL1ESR1
SCHEMBL24093821 0.81 ESR1 (0.49) GAAALDH1A1KDM4EL3MBTL1ESR1
SCHEMBL22251644 0.81 ESR1 (0.54) GAAALDH1A1KDM4EL3MBTL1ESR1
SCHEMBL14769640 0.81 ESR1 (0.54) GAAALDH1A1KDM4EL3MBTL1ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1261584-A4 CRYSTALLINE FORMS OF ANTIBIOTIC SIDE CHAIN INTERMEDIATES MERCK & CO INC (US) 2003-06-18 — — EP claimed
EP-1261584-A1 CRYSTALLINE FORMS OF ANTIBIOTIC SIDE CHAIN INTERMEDIATES Merck & Co., Inc. (US) 2002-12-04 — — EP claimed
US-6479667-B2 2S-CIS-3-(((4-MERCAPTO-2-PYRROLIDINYL) CARBONYL)-AMINO)BENZOIC ACID AND SALTS AND SOLVATES ARE INTERMEDIATES IN THE SYNTHESIS OF CARBAPENEM COMPOUNDS MERCK & CO., INC. 2002-11-12 — — US claimed
US-20020062032-A1 Crystalline forms of antibiotic side chain intermediates MERCK & CO., INC. 2002-05-23 — — US claimed
WO-2001064636-A1 CRYSTALLINE FORMS OF ANTIBIOTIC SIDE CHAIN INTERMEDIATES MERCK & CO., INC. (US) 2001-09-07 — — WO claimed
EP-0998457-A1 CRYSTALLINE FORMS OF ANTIBIOTIC SIDE CHAIN INTERMEDIATES Merck & Co., Inc. (US) 2000-05-10 — — EP claimed
US-5965747-A CHEMICAL INTERMEDIATE FOR CARBAPENEM ANTIBIOTICS; STABILITY AND PURITY MERCK & CO., INC. (US) 1999-10-12 — — US claimed
WO-1999002492-A1 CRYSTALLINE FORMS OF ANTIBIOTIC SIDE CHAIN INTERMEDIATES MERCK & CO., INC. (US) 1999-01-21 — — WO claimed
WO-2023138341-A1 SYNTHESIS METHOD FOR ERTAPENEM SODIUM 深圳市海滨制药有限公司 2023-07-27 — — WO disclosed
WO-2013121279-A2 PROCESS TO PREPARE ERTAPENEM AUROBINDO PHARMA LIMITED (IN) 2013-08-22 — — WO disclosed
WO-2013121279-A2 PROCESS TO PREPARE ERTAPENEM AUROBINDO PHARMA LIMITED (IN) 2013-08-22 — — WO disclosed
WO-2009150630-A2 PROCESS FOR PREPARING A CARBAPENEM ANTIBIOTIC COMPOSITION RANBAXY LABORATORIES LIMITED (IN) 2009-12-17 — — WO disclosed
US-RE40794-E1 Crystalline forms of carbapenem antibiotics and methods of preparation MERCK & CO., INC. (US) 2009-06-23 — — US disclosed
EP-1261584-A4 CRYSTALLINE FORMS OF ANTIBIOTIC SIDE CHAIN INTERMEDIATES MERCK & CO INC (US) 2003-06-18 — — EP disclosed
EP-0998457-A1 CRYSTALLINE FORMS OF ANTIBIOTIC SIDE CHAIN INTERMEDIATES Merck & Co., Inc. (US) 2000-05-10 — — EP disclosed
EP-0998457-A1 CRYSTALLINE FORMS OF ANTIBIOTIC SIDE CHAIN INTERMEDIATES Merck & Co., Inc. (US) 2000-05-10 — — EP disclosed
US-5965747-A CHEMICAL INTERMEDIATE FOR CARBAPENEM ANTIBIOTICS; STABILITY AND PURITY MERCK & CO., INC. (US) 1999-10-12 — — US disclosed
US-5965747-A CHEMICAL INTERMEDIATE FOR CARBAPENEM ANTIBIOTICS; STABILITY AND PURITY MERCK & CO., INC. (US) 1999-10-12 — — US disclosed
WO-1999002492-A1 CRYSTALLINE FORMS OF ANTIBIOTIC SIDE CHAIN INTERMEDIATES MERCK & CO., INC. (US) 1999-01-21 — — WO disclosed
WO-1999002492-A1 CRYSTALLINE FORMS OF ANTIBIOTIC SIDE CHAIN INTERMEDIATES MERCK & CO., INC. (US) 1999-01-21 — — 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 (1 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-20020062032-A1 Crystalline forms of antibiotic side chain intermediates ABAT, CRYAB, CRYAA GAA 774/4885ALDH1A1 1375/4885KDM4E 2418/4885

“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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