SCHEMBL2292498

SCHEMBL2292498

Cc1noc(-c2ccc(-c3ccc(CC(=O)O)cc3)cc2)c1NC(=O)OC(C)(C)C

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 6/20 0.67
LPAR3 Q9UBY5 4/20 0.61
LPAR2 Q9HBW0 2/20 0.61
PTGDR2 Q9Y5Y4 1/20 0.44
ABCC4 O15439 2/20 0.44
ABCC3 O15438 1/20 0.44
ABCB11 O95342 1/20 0.44
CYP2C8 P10632 1/20 0.44
CYP2C9 P11712 1/20 0.44
ABCB4 P21439 1/20 0.44
ABCC2 Q92887 1/20 0.44
SLCO1B3 Q9NPD5 1/20 0.44
SLCO1B1 Q9Y6L6 1/20 0.44
CYP17A1 P05093 1/20 0.44
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
RXRA P19793 2/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
HDAC1 Q13547 4/20 0.38

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
SCHEMBL4587 0.88 LPAR1 (0.53) LPAR1LPAR3LPAR2ABCC4ABCC3
SCHEMBL18597681 0.85 LPAR1 (0.52) LPAR1LPAR3LPAR2ABCC4ABCC3
SCHEMBL1345 0.82 LPAR1 (0.53) LPAR1LPAR3LPAR2ABCC4ABCC3
SCHEMBL11895595 0.82 LPAR1 (0.46) LPAR1LPAR3LPAR2PTGDR2ABCC4
SCHEMBL5585 0.82 LPAR1 (0.47) LPAR1LPAR3LPAR2ABCC4ABCC3
SCHEMBL1286658 0.81 LPAR1 (0.68) LPAR1LPAR3LPAR2PTGDR2ABCC4
SCHEMBL2288090 0.80 LPAR1 (1.00) LPAR1LPAR3LPAR2ABCC4ABCC3
SCHEMBL2296696 0.80 LPAR1 (1.00) LPAR1LPAR3LPAR2ABCC4ABCC3
SCHEMBL13283727 0.80 LPAR1 (0.79) LPAR1LPAR3LPAR2ABCC4ABCC3
SCHEMBL2288084 0.80 LPAR1 (1.00) LPAR1LPAR3LPAR2ABCC4ABCC3

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 11 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 claimed
WO-2010077882-A2 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-07-08 WO claimed
WO-2011159550-A2 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONIST AND USES THEREOF AMIDRA PHARMACEUTICALS, INC. (US) 2011-12-22 WO disclosed
US-20110301142-A1 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. 2011-12-08 US disclosed
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
EP-2358688-A2 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS Amira Pharmaceuticals, Inc. (US) 2011-08-24 EP 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
WO-2010077882-A2 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-07-08 WO disclosed
WO-2010077883-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.