SCHEMBL969394

SCHEMBL969394

Cc1noc(-c2ccc(CSCC(C)C(=O)O)cc2)c1NC(=O)OC(C)c1ccccc1Cl

nearest known ligand 0.79

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 19/20 0.79
LPAR3 Q9UBY5 4/20 0.79
LPAR2 Q9HBW0 2/20 0.79
ABCC3 O15438 1/20 0.48
ABCC4 O15439 1/20 0.48
ABCB11 O95342 1/20 0.48
CYP2C8 P10632 1/20 0.48
CYP2C9 P11712 1/20 0.48
ABCB4 P21439 1/20 0.48
ABCC2 Q92887 1/20 0.48
SLCO1B3 Q9NPD5 1/20 0.48
SLCO1B1 Q9Y6L6 1/20 0.48
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL4034384 0.90 LPAR1 (0.65) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL4033779 0.90 LPAR1 (0.65) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL4030296 0.90 LPAR1 (0.85) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL4029648 0.90 LPAR1 (0.81) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL4035153 0.89 LPAR1 (0.76) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL4031278 0.89 LPAR1 (0.86) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL3841276 0.89 LPAR1 (1.00) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL4030950 0.88 LPAR1 (0.85) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL4032482 0.88 LPAR1 (0.85) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL4032900 0.88 LPAR1 (0.85) LPAR1LPAR3LPAR2ABCC3ABCC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1364659-B1 REMEDIES FOR URINARY DISEASES COMPRISING LPA RECEPTOR CONTROLLING AGENTS ONO PHARMACEUTICAL CO (JP) 2009-11-11 EP claimed
EP-1258484-B1 NOVEL ISOXAZOLE AND THIAZOLE COMPOUNDS AND USE THEREOF AS DRUGS KYOWA HAKKO KIRIN CO LTD (JP) 2009-01-14 EP claimed
EP-1415667-B1 PANCREATIC JUICE SECRETION REGULATORS COMPRISING LPA RECEPTOR CONTROLLER ONO PHARMACEUTICAL CO (JP) 2008-09-03 EP claimed
US-7875745-B2 {1-[(2S,3S)-2-(2,3-dihydro-1H-inden-2-ylmethyl)-3-(3,5-dimethoxy-4- methylphenyl)-3-hydroxylpropyl]-1H-pyrrol-3-yl}acetic acid; for urinary system disease selected from the group of prostatic hypertrophy, neurogenic bladder dysfunction disease, dysuria, pollakiuria, night urination and urodynia ONO PHARMACEUTICAL CO., LTD. (JP) 2011-01-25 US disclosed
US-20070149595-A1 Compounds having lysophosphatidic acid receptor antagonism and uses thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-06-28 US 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-20070149595-A1 Compounds having lysophosphatidic acid receptor antagonism and uses thereof LPAR2, LPAR1, LPAR5 LPAR1 2/4885LPAR3 4/4885LPAR2 1/4885

“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.