SCHEMBL900419

SCHEMBL900419

Cc1cc(Cl)c(C(=O)O)c(C)n1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
MAPK1 P28482 1/20 0.58
KMT2A Q03164 3/20 0.45
POLB P06746 1/20 0.43
FABP3 P05413 1/20 0.42
FABP4 P15090 1/20 0.42
LMNA P02545 4/20 0.41
MAPT P10636 2/20 0.41
GPR35 Q9HC97 1/20 0.40
NPC1 O15118 1/20 0.39
AHR P35869 1/20 0.39
RAB9A P51151 1/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.38
DHODH Q02127 1/20 0.38
HPGD P15428 1/20 0.37
TSHR P16473 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
SCHEMBL6652987 0.84 KMT2A (0.45) ALDH1A1SMN1; SMN2MAPK1KMT2APOLB
SCHEMBL29977074 0.84 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2MAPK1KMT2AFABP3
SCHEMBL30593189 0.84 SMN1; SMN2 (0.75) ALDH1A1SMN1; SMN2MAPK1KMT2APOLB
SCHEMBL474121 0.84 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2MAPK1KMT2AFABP3
SCHEMBL3227278 0.84 SMN1; SMN2 (0.75) ALDH1A1SMN1; SMN2MAPK1KMT2APOLB
SCHEMBL31369008 0.81 KMT2A (0.50) ALDH1A1SMN1; SMN2MAPK1KMT2APOLB
SCHEMBL3183945 0.80 HTT (0.50) ALDH1A1SMN1; SMN2MAPK1KMT2AFABP3
SCHEMBL2229235 0.80 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2MAPK1KMT2APOLB
SCHEMBL900397 0.79 KMT2A (0.41) ALDH1A1SMN1; SMN2MAPK1KMT2APOLB
SCHEMBL31125623 0.79 ALDH1A1 (0.68) ALDH1A1SMN1; SMN2MAPK1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024211969-A1 PPARG MODULATORS Setonix Pharmaceuticals Pty Ltd (AU) 2024-10-17 WO disclosed
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-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-20200109141-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2020-04-09 US disclosed
EP-3036235-B1 NEW BIS-AMIDO PYRIDINES BOEHRINGER INGELHEIM INT (DE) 2017-04-19 EP disclosed
US-20150057295-A1 New 6-Alkynyl Pyridine BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-26 US disclosed
US-8883791-B2 N-heteroaryl compounds with cyclic bridging unit for the treatment of parasitic diseases INTERVET INC. (US) 2014-11-11 US disclosed
US-20130203768-A1 N-HETEROARYL COMPOUNDS WITH CYCLIC BRIDGING UNIT FOR THE TREATMENT OF PARASITIC DISEASES INTERVET INC. 2013-08-08 US disclosed
EP-2621923-A1 N-HETEROARYL COMPOUNDS WITH CYCLIC BRIDGING UNIT FOR THE TREATMENT OF PARASITIC DISEASES Intervet International B.V. (NL) 2013-08-07 EP disclosed
WO-2012041872-A1 N-HETEROARYL COMPOUNDS WITH CYCLIC BRIDGING UNIT FOR THE TREATMENT OF PARASITIC DISEASES INTERVET INTERNATIONAL B.V. (NL) 2012-04-05 WO disclosed
US-20100298366-A1 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2010-11-25 US disclosed
US-7790747-B2 Chemokine receptor binding compounds GENZYME CORPORATION (US) 2010-09-07 US disclosed
US-20090099205-A1 Chemokine receptor binding compounds GENZYME CORPORATION 2009-04-16 US disclosed
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 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 (9 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 ALDH1A1 1981/4885SMN1; SMN2 2699/4885MAPK1 808/4885
US-20150057295-A1 New 6-Alkynyl Pyridine MKI67, SMARCC1, SMARCC2 ALDH1A1 1027/4885SMN1; SMN2 12/4885MAPK1 368/4885
US-20100298366-A1 CHEMOKINE RECEPTOR BINDING COMPOUNDS CCR5, CXCR3, CCL5 ALDH1A1 3358/4885SMN1; SMN2 4838/4885MAPK1 1005/4885
US-20200109141-A1 AMINO ACID COMPOUNDS AND METHODS OF USE ITGB6, ITGA1, ITGAL ALDH1A1 1981/4885SMN1; SMN2 2699/4885MAPK1 808/4885
US-20130203768-A1 N-HETEROARYL COMPOUNDS WITH CYCLIC BRIDGING UNIT FOR THE TREATMENT OF PARASITIC DISEASES PIGO, HNMT, PIGS ALDH1A1 1547/4885SMN1; SMN2 3476/4885MAPK1 4625/4885
US-11952376-B2 Substituted amino acids as integrin inhibitors ITGB6, ITGA1, ITGB1 ALDH1A1 2168/4885SMN1; SMN2 2223/4885MAPK1 1100/4885
US-11180494-B2 Substituted amino acids as integrin inhibitors ITGB6, ITGA1, ITGB1 ALDH1A1 2168/4885SMN1; SMN2 2223/4885MAPK1 1100/4885
US-20240270742-A1 SUBSTITUTED AMINO ACIDS AS INTEGRIN INHIBITORS ITGB6, ITGA1, ITGB1 ALDH1A1 2168/4885SMN1; SMN2 2223/4885MAPK1 1100/4885
US-20090099205-A1 Chemokine receptor binding compounds CCR5, CXCR3, CCL5 ALDH1A1 3358/4885SMN1; SMN2 4838/4885MAPK1 1005/4885

“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.