SCHEMBL891673

SCHEMBL891673

NC(C(=O)O)c1cccs1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.47
CES2 O00748 2/20 0.47
CES1 P23141 2/20 0.47
KEAP1 Q14145 1/20 0.47
CYP2C19 P33261 1/20 0.46
SLC1A3 P43003 2/20 0.44
SLC1A2 P43004 2/20 0.44
SLC1A1 P43005 2/20 0.44
DAO P14920 1/20 0.43
KIF11 P52732 1/20 0.39
HPGDS O60760 1/20 0.38
POLB P06746 2/20 0.38
HCAR2 Q8TDS4 1/20 0.37
CYP2C9 P11712 2/20 0.37
LMNA P02545 2/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37

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
SCHEMBL1527335 1.00 ALOX5 (0.47) ALOX5CES2CES1KEAP1CYP2C19
SCHEMBL1527327 1.00 ALOX5 (0.47) ALOX5CES2CES1KEAP1CYP2C19
Hydrochloric Acid SCHEMBL3891233 0.98 ALOX5 (0.46) ALOX5CES2CES1KEAP1CYP2C19
SCHEMBL5236901 0.84 CYP2C19 (0.57) CYP2C19SLC1A3SLC1A2SLC1A1PTGS1
Dl-Penicillamine SCHEMBL8444713 0.84 MAPT (0.53) ALOX5CES2CES1KEAP1CYP2C19
SCHEMBL5236908 0.84 CYP2C19 (0.57) CYP2C19SLC1A3SLC1A2SLC1A1PTGS1
SCHEMBL5027606 0.83 ALOX5 (0.51) ALOX5CES2CES1KEAP1CYP2C19
SCHEMBL10349140 0.83 ALOX5 (0.47) ALOX5CES2CES1KEAP1CYP2C19
SCHEMBL13163250 0.83 ALOX5 (0.51) ALOX5CES2CES1KEAP1CYP2C19
SCHEMBL72374 0.83 CES2 (0.50) ALOX5CES2CES1KEAP1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230172232-A1 COMPOSITIONS AND METHODS USING AN AMINO ACID BLEND FOR PROVIDING A HEALTH BENEFIT IN AN ANIMAL Société des Produits Nestlé S.A. (CH) 2023-06-08 US claimed
EP-1972636-B1 CYCLOALKYLCARBONYLAMINO ACID DERIVATIVE AND PROCESS FOR PRODUCING THE SAME SEIKAGAKU KOGYO CO LTD (JP) 2011-05-25 EP claimed
EP-2036920-B1 CYCLOALKYLCARBONYLAMINO ACID ESTER DERIVATIVE AND PROCESS FOR PRODUCING THE SAME SEIKAGAKU KOGYO CO LTD (JP) 2011-05-18 EP claimed
US-7691818-B2 Peptidomimetic inhibitors of retroviral proteases and their use as antivirals Universita' Degli Studi Di Treiste (IT) 2010-04-06 US claimed
EP-1261601-B1 SUBSTITUTED INDOLES FOR MODULATING NFKB ACTIVITY SANOFI AVENTIS DEUTSCHLAND (DE) 2009-07-29 EP claimed
US-20090156805-A1 Cycloalkane Carboxamide Derivatives and Production Process of Same SEIKAGAKU CORPORATION (JP) 2009-06-18 US claimed
US-20090137799-A1 Cycloalkylcarbonylamino Acid Ester Derivative and Process for Producing The Same SEIKAGAKU CORPORATION (JP) 2009-05-28 US claimed
US-20090111983-A1 Cycloalkylcarbonylamino Acid Derivative and Process For Producing The Same SEIKAGAKU CORPORATION (JP) 2009-04-30 US claimed
EP-2036920-A1 CYCLOALKYLCARBONYLAMINO ACID ESTER DERIVATIVE AND PROCESS FOR PRODUCING THE SAME SEIKAGAKU CORPORATION (JP) 2009-03-18 EP claimed
EP-1768665-B1 PEPTIDOMIMETIC INHIBITORS OF HIV PROTEASE UNIV DEGLI STUDI TRIESTE (IT) 2008-11-05 EP claimed
US-5658885-A OLIGOPEPTIDES; ANTICOAGULANTS; ENZYME INHIBITORS; THROMBIN THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-08-19 US claimed
EP-0528312-B1 Cyclic peptides and use thereof TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1997-07-16 EP claimed
US-5622934-A TREATING DIABETES MELLITUS HOECHST AKTIENGESELLSCHAFT (DE) 1997-04-22 US claimed
EP-0714909-A1 Composition for prophylaxis or treatment of pulmonary circulatory diseases Takeda Chemical Industries, Ltd. (JP) 1996-06-05 EP claimed
CN-1109780-A Sustained-release preparation of anti-endothelin substance TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1995-10-11 CN claimed
EP-0647449-A1 Sustained-release preparation of anti-endothelin substance Takeda Chemical Industries, Ltd. (JP) 1995-04-12 EP claimed
EP-0387677-B1 Thienylacetic acid derivatives, process for their preparation, their application as well as pharmaceuticals containing them and their preparation CASSELLA FARBWERKE MAINKUR AG (DE) 1994-03-16 EP claimed
EP-0545198-A2 Peptides with insulin like activity HOECHST AKTIENGESELLSCHAFT (DE) 1993-06-09 EP claimed
US-4073687-A PENICILLINS OR CEPHALOSPORINS SHIONOGI & CO., LTD. (JA) 1978-02-14 US claimed
US-4043991-A Preparation of peptides and cephalosporins SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1977-08-23 US claimed

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-20090156805-A1 Cycloalkane Carboxamide Derivatives and Production Process of Same CTSK, CTSS, CTSB ALOX5 1923/4885CES2 159/4885CES1 181/4885
US-20090137799-A1 Cycloalkylcarbonylamino Acid Ester Derivative and Process for Producing The Same CTSK, CTSS, CTSE ALOX5 2568/4885CES2 171/4885CES1 189/4885
US-20090111983-A1 Cycloalkylcarbonylamino Acid Derivative and Process For Producing The Same CTSK, CTSS, CTSV ALOX5 2195/4885CES2 297/4885CES1 352/4885

“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.