SCHEMBL11896014

SCHEMBL11896014

Cc1onc(-c2cccc(-c3cncc(C(=O)O)c3)c2)c1NC(=O)OC(C)c1ccccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 11/20 0.47
LPAR3 Q9UBY5 4/20 0.47
LPAR2 Q9HBW0 2/20 0.47
SCN5A Q14524 3/20 0.42
SCN9A Q15858 3/20 0.42
CTSA P10619 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PDE4B Q07343 1/20 0.40
NR1H4 Q96RI1 1/20 0.40
GAA P10253 1/20 0.39
MAPT P10636 1/20 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
SCHEMBL11896361 0.93 LPAR1 (0.53) LPAR1LPAR3LPAR2SCN5ASCN9A
SCHEMBL11895647 0.93 LPAR1 (0.50) LPAR1LPAR3LPAR2SCN5ASCN9A
SCHEMBL11895986 0.89 LPAR1 (0.53) LPAR1LPAR3LPAR2SCN5ASCN9A
SCHEMBL11895825 0.89 LPAR1 (0.58) LPAR1LPAR3LPAR2SCN5ASCN9A
SCHEMBL11896247 0.87 LPAR1 (0.46) LPAR1LPAR3LPAR2SCN5ASCN9A
SCHEMBL11896284 0.87 LPAR1 (0.49) LPAR1LPAR3LPAR2SCN5ASCN9A
SCHEMBL3706566 0.87 LPAR1 (0.62) LPAR1LPAR3LPAR2CTSAPDE4B
SCHEMBL4029085 0.86 LPAR1 (0.58) LPAR1LPAR3LPAR2SCN5ASCN9A
SCHEMBL4028917 0.86 LPAR1 (0.58) LPAR1LPAR3LPAR2SCN5ASCN9A
SCHEMBL11895259 0.85 LPAR1 (0.47) LPAR1LPAR3LPAR2SCN5ASCN9A

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 3 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

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.