SCHEMBL343798

SCHEMBL343798

CCc1noc(-c2ccc(Br)cc2)c1NC(=O)O[C@H](C)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 15/20 0.65
LPAR3 Q9UBY5 8/20 0.65
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
LPAR2 Q9HBW0 2/20 0.47
ALDH1A1 P00352 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.38
NAAA Q02083 1/20 0.37
NPC1 O15118 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 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
SCHEMBL2295429 0.88 LPAR1 (0.79) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL2295425 0.88 LPAR1 (0.79) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL12973608 0.86 LPAR1 (0.72) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL343473 0.86 LPAR1 (0.87) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL7064 0.86 LPAR1 (0.87) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL343102 0.86 LPAR1 (0.87) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL343669 0.86 LPAR1 (0.48) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL344170 0.85 LPAR1 (0.79) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL344171 0.85 LPAR1 (0.79) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL342985 0.82 LPAR1 (0.69) LPAR1LPAR3ABCC3ABCC4ABCB11

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
US-20120015991-A1 POLYCYCLIC ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2012-01-19 US disclosed
US-8058300-B2 Polycyclic antagonists of lysophosphatidic acid receptors AMIRA PHARMACEUTICALS, INC. (US) 2011-11-15 US disclosed
WO-2010141768-A2 POLYCYCLIC ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-12-09 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 (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-20120015991-A1 POLYCYCLIC ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS LPAR1, LPAR2, LPAR4 LPAR1 1/4885LPAR3 5/4885ABCC3 2717/4885

“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.