SCHEMBL1246654

SCHEMBL1246654

Cc1cc(Cl)cc(CC(=O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 7/20 0.43
CA2 P00918 1/20 0.43
PTGS2 P35354 1/20 0.42
THRA P10827 6/20 0.40
KDM4E B2RXH2 2/20 0.40
POLB P06746 2/20 0.40
MAPT P10636 2/20 0.40
AKR1B1 P15121 1/20 0.40
PTGS1 P23219 1/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
GPR35 Q9HC97 1/20 0.39
RGS12 O14924 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
APEX1 P27695 1/20 0.38
THPO P40225 1/20 0.38

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
SCHEMBL593771 0.85 TPMT (0.48) THRBCA2THRAKDM4EPOLB
SCHEMBL21273844 0.85 CA2 (0.50) THRBCA2THRAKDM4EPOLB
SCHEMBL868125 0.85 CA2 (0.50) THRBCA2THRAKDM4EPOLB
SCHEMBL1286171 0.85 AKR1B1 (0.48) THRBCA2THRAKDM4EPOLB
Hydrochloric Acid SCHEMBL2529215 0.83 TPMT (0.46) THRBCA2THRAKDM4EPOLB
Acetic Acid SCHEMBL28420889 0.81 TPMT (0.44) THRBCA2THRAKDM4EPOLB
SCHEMBL12834744 0.81 FFAR1 (0.49) THRBTHRA
SCHEMBL6372557 0.78 MAPT (0.48) KDM4EPOLBMAPTLMNAGAA
SCHEMBL14143941 0.78 THRB (0.44) THRBCA2THRAKDM4EPOLB
SCHEMBL334919 0.78 HCAR1 (0.50) THRBCA2THRAKDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118666666-A Preparation method of alkyl phenylacetic acid derivative 浙江九洲药业股份有限公司 2024-09-20 CN disclosed
WO-2024187495-A1 PREPARATION METHOD FOR ALKYLPHENYLACETIC ACID DERIVATIVE 浙江九洲药业股份有限公司 2024-09-19 WO disclosed
US-8629271-B2 Compounds ASTRAZENECA AB (GB) 2014-01-14 US disclosed
US-8476265-B2 Compounds-801 ASTRAZENECA AB (SE) 2013-07-02 US disclosed
US-8455483-B2 Compounds—801 ASTRAZENECA AB (SE) 2013-06-04 US disclosed
US-20130018037-A1 Compounds - 801 ASTRAZENECA UK LIMITED (GB) 2013-01-17 US disclosed
US-20120322788-A1 Compouds PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2012-12-20 US disclosed
EP-2242759-B1 COMPOUNDS ASTRAZENECA AB (SE) 2012-09-12 EP disclosed
EP-2459572-A2 SPIROCYCLIC AMIDE DERIVATIVES AstraZeneca AB (SE) 2012-06-06 EP disclosed
US-8148373-B2 Compounds ASTRAZENECA AB (SE) 2012-04-03 US disclosed
US-20090062531-A1 Arylacetate Derivatives Having Isoxazole Skeleton SHIONOGI & CO., LTD. (JP) 2009-03-05 US disclosed
EP-1887000-A1 ARYLACETATE DERIVATIVE HAVING ISOXAZOLE SKELETON Shionogi Co., Ltd. (JP) 2008-02-13 EP disclosed
US-6838478-B2 Amino acid derivatives and their use as thrombin inhibitors ASTRAZENECA AB (SE) 2005-01-04 US disclosed
CN-1129604-C Amino acid derivatives and their use as thrombin inhibitors ASTRA AB (SE) 2003-12-03 CN disclosed
EP-0910573-B1 NEW AMINO ACID DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS ASTRAZENECA AB (SE) 2003-01-29 EP disclosed
US-20020019371-A1 New amino acid derivatives and their use as thrombin inhibitors ASTRAZENECA AB 2002-02-14 US disclosed
US-6255301-B1 CARDIOVASCULAR DISORDERS; ANTICOAGULANT; PROTEASE INHIBITORS ASTRAZENECA AB (SE) 2001-07-03 US disclosed
CN-1226895-A Amino acid derivatives and their use as thrombin inhibitors ASTRA AB (SE) 1999-08-25 CN disclosed
EP-0910573-A1 NEW AMINO ACID DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS Astra Aktiebolag (SE) 1999-04-28 EP disclosed
WO-1997046577-A1 NEW AMINO ACID DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS ASTRA AKTIEBOLAG (SE) 1997-12-11 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 (4 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-20020019371-A1 New amino acid derivatives and their use as thrombin inhibitors F2, SERPINC1, FGB THRB 238/4885CA2 1595/4885PTGS2 1289/4885
US-20130018037-A1 Compounds - 801 ADRA2C, ADRB2, ADRB1 THRB 476/4885CA2 1251/4885PTGS2 1134/4885
US-20090062531-A1 Arylacetate Derivatives Having Isoxazole Skeleton CYP2A7, CYP4X1, HAX1 THRB 2581/4885CA2 1576/4885PTGS2 4824/4885
US-20120322788-A1 Compouds PKD1, SBDS, ABCB11 THRB 1284/4885CA2 779/4885PTGS2 775/4885

“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.