SCHEMBL1245071

SCHEMBL1245071

COC(=O)Cc1ccc(OCc2ccc(-c3noc(C)c3NC(=O)O[C@H](C)c3ccccc3Cl)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 12/20 0.55
LPAR3 Q9UBY5 3/20 0.55
LPAR2 Q9HBW0 2/20 0.55
NR1H4 Q96RI1 5/20 0.44
PPARD Q03181 3/20 0.44
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
RAB9A P51151 1/20 0.43
SCN5A Q14524 2/20 0.43
SCN9A Q15858 2/20 0.43

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
SCHEMBL11896156 1.00 LPAR1 (0.55) LPAR1LPAR3LPAR2NR1H4PPARD
SCHEMBL1247202 0.93 LPAR1 (0.65) LPAR1LPAR3LPAR2NR1H4PPARD
SCHEMBL1247201 0.93 LPAR1 (0.65) LPAR1LPAR3LPAR2NR1H4PPARD
SCHEMBL11895889 0.93 LPAR1 (0.63) LPAR1LPAR3LPAR2SCN5ASCN9A
SCHEMBL13283905 0.87 LPAR1 (0.73) LPAR1LPAR3LPAR2NR1H4PPARD
SCHEMBL3710119 0.87 LPAR1 (0.73) LPAR1LPAR3LPAR2NR1H4PPARD
SCHEMBL14711656 0.86 LPAR1 (0.61) LPAR1LPAR3LPAR2SCN5ASCN9A
SCHEMBL11896337 0.85 LPAR1 (0.68) LPAR1LPAR3LPAR2NR1H4PPARD
SCHEMBL11896336 0.85 LPAR1 (0.68) LPAR1LPAR3LPAR2NR1H4PPARD
SCHEMBL11896280 0.85 LPAR1 (0.75) LPAR1LPAR3LPAR2NR1H4SCN5A

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.