SCHEMBL1247456

SCHEMBL1247456

Cc1onc(-c2ccc(-c3ccc(C4(C(=O)O)CCC4)cc3)cc2)c1NC(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 9/20 0.52
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
NTRK1 P04629 2/20 0.39
LPAR3 Q9UBY5 1/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
GABRA5 P31644 1/20 0.36
IDH1 O75874 1/20 0.35
PSMB8 P28062 1/20 0.35

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
SCHEMBL1246580 0.96 LPAR1 (0.56) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL2800110 0.86 LPAR1 (0.65) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL11896101 0.85 LPAR1 (0.50) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL1246328 0.85 LPAR1 (0.52) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL2796554 0.82 LPAR1 (0.68) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL1247369 0.82 LPAR1 (0.50) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL11896030 0.82 LPAR1 (0.55) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL11896029 0.82 LPAR1 (0.55) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL11896147 0.82 LPAR1 (0.73) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL11896169 0.82 LPAR1 (0.73) LPAR1ABCC3ABCC4ABCB11CYP2C8

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 1/4885ABCC3 3151/4885ABCC4 3263/4885

“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.