SCHEMBL2289326

SCHEMBL2289326

Cc1noc(-c2ccc(Br)cc2)c1NC(=O)O[C@@H](C)c1ccccc1Cl

nearest known ligand 0.76

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 17/20 0.76
LPAR3 Q9UBY5 4/20 0.76
LPAR2 Q9HBW0 2/20 0.76
ABCC3 O15438 1/20 0.55
ABCC4 O15439 1/20 0.55
ABCB11 O95342 1/20 0.55
CYP2C8 P10632 1/20 0.55
CYP2C9 P11712 1/20 0.55
ABCB4 P21439 1/20 0.55
ABCC2 Q92887 1/20 0.55
SLCO1B3 Q9NPD5 1/20 0.55
SLCO1B1 Q9Y6L6 1/20 0.55
MAPT P10636 2/20 0.46
KDM4E B2RXH2 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
SCHEMBL343414 1.00 LPAR1 (0.76) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL2290240 1.00 LPAR1 (0.76) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL12068519 0.93 LPAR1 (0.84) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL4029639 0.93 LPAR1 (0.78) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL4028688 0.93 LPAR1 (0.80) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL4030159 0.93 LPAR1 (0.80) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL12973622 0.92 LPAR1 (0.76) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL15451614 0.91 LPAR1 (0.75) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL4032758 0.91 LPAR1 (0.75) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL30538275 0.91 LPAR1 (0.75) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110301142-A1 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. 2011-12-08 US disclosed
US-8048902-B2 Antagonists of lysophosphatidic acid receptors AMIRA PHARMACEUTICALS, INC. (US) 2011-11-01 US disclosed
US-20110196005-A1 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC., (US) 2011-08-11 US disclosed
WO-2010077882-A2 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-07-08 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 (2 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-20110196005-A1 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS LPAR1, LPAR2, LPAR4 LPAR1 1/4885LPAR3 5/4885LPAR2 2/4885
US-20110301142-A1 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS 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.