SCHEMBL1706740

SCHEMBL1706740

N#Cc1cc(Cl)c(C(=O)O)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.46
MRGPRX4 Q96LA9 4/20 0.39
TYK2 P29597 2/20 0.39
DPP4 P27487 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
TAS1R2 Q8TE23 1/20 0.39
VCAM1 P19320 1/20 0.38
FASN P49327 1/20 0.37
AKR1C2 P52895 1/20 0.36
AKR1C1 Q04828 1/20 0.36
FLT1 P17948 1/20 0.36
FLT4 P35916 1/20 0.36
KDR P35968 1/20 0.36
PDK1 Q15118 1/20 0.36
PDK2 Q15119 1/20 0.36
PDK3 Q15120 1/20 0.36
PDK4 Q16654 1/20 0.36
TTR P02766 3/20 0.35
ALB P02768 2/20 0.35

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
SCHEMBL792494 0.87 TYK2 (0.42) GPR35MRGPRX4TYK2PDK1PDK2
SCHEMBL21826384 0.87 ALDH1A1 (0.44) GPR35MRGPRX4TYK2FLT1FLT4
SCHEMBL792787 0.83 ALDH1A1 (0.46) GPR35MRGPRX4TYK2TAS1R3TAS1R1
SCHEMBL7016991 0.81 GPR35 (0.41) GPR35TYK2TAS1R3TAS1R1TAS1R2
SCHEMBL21972198 0.78 PTGS1 (0.43) TYK2DPP4AKR1C2AKR1C1TTR
SCHEMBL1707633 0.76 MRGPRX4 (0.45) GPR35MRGPRX4TYK2TAS1R3TAS1R1
SCHEMBL4849457 0.76 GPR35 (0.42) GPR35MRGPRX4VCAM1TTRALB
SCHEMBL31013970 0.76 CA12 (0.44) GPR35TTRALBMEN1KMT2A
SCHEMBL794012 0.75 TYK2 (0.45) GPR35TYK2TAS1R3TAS1R1TAS1R2
SCHEMBL27816654 0.75 AKR1C2 (0.41) GPR35MRGPRX4AKR1C2AKR1C1FLT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113195053-B Amino acid compounds and methods of use 普利安特治疗公司 2024-08-30 CN disclosed
US-20240270742-A1 SUBSTITUTED AMINO ACIDS AS INTEGRIN INHIBITORS PLIANT THERAPEUTICS INC (US) 2024-08-15 US disclosed
US-11952376-B2 Substituted amino acids as integrin inhibitors PLIANT THERAPEUTICS, INC. (US) 2024-04-09 US disclosed
US-20230365556-A1 N-ACYL AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. (US) 2023-11-16 US disclosed
US-11673887-B2 N-acyl amino acid compounds and methods of use PLIANT THERAPEUTICS, INC. (US) 2023-06-13 US 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
EP-3863711-A1 AMINO ACID COMPOUNDS AND METHODS OF USE Pliant Therapeutics, Inc. (US) 2021-08-18 EP disclosed
CN-113195053-A Amino acid compounds and methods of use 普利安特治疗公司 2021-07-30 CN disclosed
US-20210024516-A1 N-ACYL AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2021-01-28 US disclosed
CN-102459187-A Janus Kinase Inhibiting Compounds and Methods HOFFMANN LA ROCHE 2012-05-16 CN disclosed
EP-2440529-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS F. Hoffmann-La Roche AG (CH) 2012-04-18 EP disclosed
WO-2010142752-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS F. HOFFMANN-LA ROCHE AG (CH) 2010-12-16 WO disclosed
US-20100317643-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2010-12-16 US disclosed
US-7759388-B2 Phenylalanine derivatives AJINOMOTO CO., INC. (JP) 2010-07-20 US disclosed
US-20090048236-A1 NEW PHENYLALANINE DERIVATIVES AJINOMOTO CO. INC (JP) 2009-02-19 US disclosed
US-7452905-B2 Phenylalanine derivatives AJINOMOTO CO., INC. (JP) 2008-11-18 US disclosed
EP-1323711-B1 NOVEL PHENYLALANINE DERIVATIVES AJINOMOTO KK (JP) 2006-11-15 EP disclosed
US-20030220318-A1 New phenylalanine derivatives AJINOMOTO CO. INC (JP) 2003-11-27 US disclosed
EP-1323711-A1 NOVEL PHENYLALANINE DERIVATIVES Ajinomoto Co., Inc. (JP) 2003-07-02 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 (10 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-20030220318-A1 New phenylalanine derivatives VCAM1, PAH, ICAM1 GPR35 488/4885MRGPRX4 441/4885TYK2 121/4885
US-20220144829-A1 AMINO ACID COMPOUNDS AND METHODS OF USE ITGB6, ITGA1, ITGAL GPR35 1246/4885MRGPRX4 2238/4885TYK2 596/4885
US-20090048236-A1 NEW PHENYLALANINE DERIVATIVES ITGB4, VCAM1, ITGA4 GPR35 549/4885MRGPRX4 181/4885TYK2 184/4885
US-11673887-B2 N-acyl amino acid compounds and methods of use ITGA1, ITGB1, ITGAL GPR35 978/4885MRGPRX4 1962/4885TYK2 2291/4885
US-20100317643-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 GPR35 2960/4885MRGPRX4 1009/4885TYK2 21/4885
US-20210024516-A1 N-ACYL AMINO ACID COMPOUNDS AND METHODS OF USE ITGA1, ITGB1, ITGAL GPR35 978/4885MRGPRX4 1962/4885TYK2 2291/4885
US-11952376-B2 Substituted amino acids as integrin inhibitors ITGB6, ITGA1, ITGB1 GPR35 1152/4885MRGPRX4 2513/4885TYK2 732/4885
US-11180494-B2 Substituted amino acids as integrin inhibitors ITGB6, ITGA1, ITGB1 GPR35 1152/4885MRGPRX4 2513/4885TYK2 732/4885
US-20240270742-A1 SUBSTITUTED AMINO ACIDS AS INTEGRIN INHIBITORS ITGB6, ITGA1, ITGB1 GPR35 1152/4885MRGPRX4 2513/4885TYK2 732/4885
US-20230365556-A1 N-ACYL AMINO ACID COMPOUNDS AND METHODS OF USE ITGA1, ITGB1, ITGAL GPR35 978/4885MRGPRX4 1962/4885TYK2 2291/4885

“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.