SCHEMBL6670974

SCHEMBL6670974

N#Cc1ccc(CC(=O)C(=O)O)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTBP2 P56545 1/20 0.64
F2 P00734 2/20 0.52
HTT P42858 1/20 0.51
PLG P00747 1/20 0.50
PRSS1 P07477 1/20 0.50
PRSS2 P07478 1/20 0.50
C1S P09871 1/20 0.50
PRSS3 P35030 1/20 0.50
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
SAE1 Q9UBE0 1/20 0.47
UBA2 Q9UBT2 1/20 0.47
LOXL2 Q9Y4K0 2/20 0.47
CYP2A6 P11509 1/20 0.47
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
GSK3B P49841 1/20 0.44
FFAR1 O14842 1/20 0.44
MMP12 P39900 1/20 0.44
MMP13 P45452 1/20 0.44

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
SCHEMBL335492 0.83 CTBP2 (0.62) CTBP2HTTCA1CA2SAE1
SCHEMBL8993811 0.82 CTBP2 (0.53) CTBP2F2HTTPLGPRSS1
Hydrochloric Acid SCHEMBL7981327 0.82 CTBP2 (0.61) CTBP2HTTCA1CA2SAE1
SCHEMBL29236556 0.82 CTBP2 (0.61) CTBP2HTTCA1CA2SAE1
SCHEMBL6937899 0.81 CTBP2 (0.59) CTBP2HTTCA1CA2SAE1
SCHEMBL4579428 0.81 CTBP2 (0.60) CTBP2HTTCA1CA2SAE1
SCHEMBL6564262 0.79 CTBP2 (0.58) CTBP2HTTCA1CA2SAE1
SCHEMBL8185095 0.78 HTT (0.62) CTBP2HTTCA2SAE1UBA2
SCHEMBL9641208 0.78 CTBP2 (0.57) CTBP2HTTSAE1UBA2CES2
SCHEMBL5080688 0.78 CTBP2 (0.57) CTBP2HTTCA1CA2SAE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1038953-B1 Stereoselective transaminase, gene encoding said protein and use thereof SUMITOMO CHEMICAL CO (JP) 2004-09-22 EP disclosed
US-6727083-B2 PROTEIN FOR USE IN THE GENERATION OF BRONCHODILATING AGENT, PESTICIDES, FUNGICIDE, HERBICIDES AND FOR USE IN THE TREATMENT OF DIABETES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-04-27 US disclosed
US-20020127664-A1 Protein capable of catalyzing transamination stereoselectively, gene encoding said protein and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED 2002-09-12 US disclosed
US-6413752-B1 AMINO ACID SEQUENCE OF ENZYME WHICH CONVERTS ACETOPHENONE TO OPTICALLY ACTIVE 1-PHENYLETHYLAMINE IN PRESENCE OF RACEMIC SEC-BUTYLAMINE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-07-02 US disclosed
US-6200976-B1 FOR TREATING THROMBOSIS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-03-13 US disclosed
EP-1071669-A1 BICYCLIC COMPOUNDS HAVING AN ANTI-THROMBITIC EFFECT Boehringer Ingelheim Pharma KG (DE) 2001-01-31 EP disclosed
EP-1060166-A1 FIVE-MEMBERED, BENZO-CONDENSED HETEROCYCLES USED AS ANTITHROMBOTIC AGENTS Boehringer Ingelheim Pharma KG (DE) 2000-12-20 EP disclosed
EP-1038953-A1 Stereoselective transaminase, gene encoding said protein and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-09-27 EP disclosed
US-6114532-A ANTICOAGULANT BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-09-05 US disclosed
WO-1999054313-A1 BICYCLIC COMPOUNDS HAVING AN ANTI-THROMBITIC EFFECT BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-10-28 WO disclosed
WO-1999040072-A1 FIVE-MEMBERED, BENZO-CONDENSED HETEROCYCLES USED AS ANTITHROMBOTIC AGENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-08-12 WO disclosed
US-4766110-A INHIBITS ANGIOTENSIN CONVERTING ENZYME, HYPOTENSIVE AGENTS RYAN JAMES W (US) 1988-08-23 US disclosed
EP-0073143-B1 NOVEL COMPLEX AMIDO AND IMIDO DERIVATIVES OF CARBOXYALKYL PEPTIDES AND THIOETHERS AND ETHERS OF PEPTIDES Ryan, James Walter (US) 1985-11-21 EP disclosed
US-4472380-A CARBOXYALKYL DIPEPTIDE DERIVATIVES MERCK & CO., INC. (US) 1984-09-18 US disclosed
EP-0073143-A2 Novel complex amido and imido derivatives of carboxyalkyl peptides and thioethers and ethers of peptides Ryan, James Walter (US) 1983-03-02 EP disclosed
US-4374829-A Aminoacid derivatives as antihypertensives MERCK & CO., INC. (US) 1983-02-22 US disclosed
EP-0048159-A2 Novel carboxyalkyl peptides and thioethers and ethers of peptides as antihypertensive agents UNIVERSITY OF MIAMI (US) 1982-03-24 EP disclosed
EP-0012401-A1 Carboxyalkyl dipeptide derivatives, process for preparing them and pharmaceutical composition containing them MERCK & CO. INC. (US) 1980-06-25 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 (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-20020127664-A1 Protein capable of catalyzing transamination stereoselectively, gene encoding said protein and use thereof THEM6, FARSB, FARSA CTBP2 247/4885F2 4029/4885HTT 3837/4885

“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.