SCHEMBL30385

SCHEMBL30385

CCOCc1cccc(Cl)c1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.60
IDO1 P14902 2/20 0.60
AGXT P21549 2/20 0.60
MAOB P27338 4/20 0.50
TACR1 P25103 2/20 0.50
PNMT P11086 2/20 0.50
ENPP2 Q13822 1/20 0.49
MAOA P21397 2/20 0.47
TAAR1 Q96RJ0 3/20 0.47
ALOX5 P09917 1/20 0.47
KDM4E B2RXH2 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL30487714 1.00 CYP3A4 (0.60) CYP3A4IDO1AGXTMAOBTACR1
SCHEMBL27045093 0.91 CYP3A4 (0.55) CYP3A4IDO1AGXTMAOBTACR1
SCHEMBL10866481 0.87 CYP3A4 (0.69) CYP3A4IDO1AGXTMAOBTACR1
SCHEMBL649159 0.85 TSHR (0.46) CYP3A4IDO1AGXT
SCHEMBL8880826 0.82 CYP3A4 (0.53) CYP3A4IDO1AGXTMAOBTACR1
SCHEMBL9628682 0.81 TSHR (0.48) IDO1AGXTMAOBKDM4E
SCHEMBL10364822 0.80 TAAR1 (0.59) MAOBTAAR1ALOX5
SCHEMBL423396 0.80 CYP3A4 (0.60) CYP3A4IDO1AGXTMAOBTACR1
SCHEMBL22519891 0.79 CYP3A4 (0.55) CYP3A4IDO1AGXTMAOBTACR1
SCHEMBL791970 0.79 CYP3A4 (0.64) CYP3A4IDO1AGXTMAOBPNMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3632892-B1 METHOD FOR PRODUCING 3-ARYLPROPIONAMIDE COMPOUND SUMITOMO CHEMICAL CO (JP) 2024-07-31 EP disclosed
CN-110799490-B 3-arylpropionamide compound and method for producing 3-arylpropionate compound 住友化学株式会社 2023-05-02 CN disclosed
US-20220144829-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2022-05-12 US disclosed
US-11180494-B2 Substituted amino acids as integrin inhibitors PLIANT THERAPEUTICS, INC. (US) 2021-11-23 US disclosed
US-11028056-B2 Method for producing 3-arylpropionamide compound and 3-arylpropionic acid ester compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2021-06-08 US disclosed
US-20200165209-A1 METHOD FOR PRODUCING 3-ARYLPROPIONAMIDE COMPOUND AND 3-ARYLPROPIONIC ACID ESTER COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2020-05-28 US disclosed
US-20200109141-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2020-04-09 US disclosed
EP-3632892-A1 METHOD FOR PRODUCING 3-ARYLPROPIONAMIDE COMPOUND AND 3-ARYLPROPIONIC ACID ESTER COMPOUND Sumitomo Chemical Company, Limited (JP) 2020-04-08 EP disclosed
CN-110799490-A Process for producing 3-arylpropionamide compound and process for producing 3-arylpropionate compound 住友化学株式会社 2020-02-14 CN disclosed
US-9856246-B2 TRPM8 antagonists DOMPÉ FARMACEUTICI S.P.A. (IT) 2018-01-02 US disclosed
US-20170129881-A1 TRPM8 ANTAGONISTS DOMPÉ FARMACEUTICI S.P.A. (IT) 2017-05-11 US disclosed
US-20120295856-A1 FREDERICAMYCIN DERIVATIVES ZENTOPHARM GMBH (DE) 2012-11-22 US disclosed
WO-2012025638-A1 SELECTIVE 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS Universität des Saarlandes (DE) 2012-03-01 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 (7 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-20220144829-A1 AMINO ACID COMPOUNDS AND METHODS OF USE ITGB6, ITGA1, ITGAL CYP3A4 4072/4885IDO1 1285/4885AGXT 328/4885
US-20170129881-A1 TRPM8 ANTAGONISTS TRPM8, TRPM7, TRPM5 CYP3A4 3440/4885IDO1 442/4885AGXT 4712/4885
US-20200109141-A1 AMINO ACID COMPOUNDS AND METHODS OF USE ITGB6, ITGA1, ITGAL CYP3A4 4072/4885IDO1 1285/4885AGXT 328/4885
US-20200165209-A1 METHOD FOR PRODUCING 3-ARYLPROPIONAMIDE COMPOUND AND 3-ARYLPROPIONIC ACID ESTER COMPOUND AADAC, DDT, NAT1 CYP3A4 210/4885IDO1 1084/4885AGXT 21/4885
US-20120295856-A1 FREDERICAMYCIN DERIVATIVES NISCH, MYC, MANBA CYP3A4 2289/4885IDO1 3084/4885AGXT 998/4885
US-11180494-B2 Substituted amino acids as integrin inhibitors ITGB6, ITGA1, ITGB1 CYP3A4 4168/4885IDO1 1601/4885AGXT 893/4885
US-11028056-B2 Method for producing 3-arylpropionamide compound and 3-arylpropionic acid ester compound AADAC, DDT, NAT1 CYP3A4 210/4885IDO1 1084/4885AGXT 21/4885

“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.