SCHEMBL1247039

SCHEMBL1247039

Cc1onc(-c2ccc(-c3ccc(C(C)(C)C(=O)O)cc3)cc2)c1NC(=O)O[C@H](C)c1ccccc1F

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 9/20 0.43
LPAR3 Q9UBY5 4/20 0.42
LPAR2 Q9HBW0 2/20 0.42
MAPT P10636 2/20 0.42
NPSR1 Q6W5P4 1/20 0.41
ABCC3 O15438 1/20 0.40
ABCC4 O15439 1/20 0.40
ABCB11 O95342 1/20 0.40
CYP2C8 P10632 1/20 0.40
CYP2C9 P11712 1/20 0.40
ABCB4 P21439 1/20 0.40
ABCC2 Q92887 1/20 0.40
SLCO1B3 Q9NPD5 1/20 0.40
SLCO1B1 Q9Y6L6 1/20 0.40
NTRK1 P04629 2/20 0.40
SCN9A Q15858 3/20 0.39
SCN5A Q14524 2/20 0.39

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
SCHEMBL11895363 1.00 LPAR1 (0.43) LPAR1LPAR3LPAR2MAPTNPSR1
SCHEMBL11895932 0.91 LPAR1 (0.39) LPAR1LPAR3LPAR2MAPTNPSR1
SCHEMBL11896345 0.89 LPAR1 (0.54) LPAR1LPAR3LPAR2NPSR1ABCC3
SCHEMBL11895655 0.89 LPAR1 (0.54) LPAR1LPAR3LPAR2NPSR1ABCC3
SCHEMBL4030336 0.89 MAPT (0.51) LPAR1LPAR3LPAR2MAPTNPSR1
SCHEMBL11977991 0.86 MAPT (0.44) LPAR1LPAR3LPAR2MAPTNPSR1
SCHEMBL2291960 0.86 LPAR1 (0.59) LPAR1LPAR3LPAR2MAPTABCC3
SCHEMBL2291951 0.86 LPAR1 (0.59) LPAR1LPAR3LPAR2MAPTABCC3
SCHEMBL11895550 0.85 LPAR1 (0.44) LPAR1LPAR3LPAR2MAPTNPSR1
SCHEMBL11895549 0.85 LPAR1 (0.44) LPAR1LPAR3LPAR2MAPTNPSR1

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-2462128-B1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC (US) 2016-09-21 EP claimed
US-8592402-B2 Compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2013-11-26 US claimed
US-20120196839-A1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC. (US) 2012-08-02 US claimed
EP-2462128-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS Amira Pharmaceuticals, Inc. (US) 2012-06-13 EP claimed
WO-2011017350-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-02-10 WO claimed

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-20120196839-A1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR4 LPAR1 1/4885LPAR3 5/4885LPAR2 2/4885

“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.