SCHEMBL2762863

SCHEMBL2762863

Cc1ccccc1C[C@@H](NC(=O)O)c1c(C)noc1-c1ccc(Br)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
ALOX5 P09917 1/20 0.38
ALOX5AP P20292 1/20 0.38
LPAR1 Q92633 4/20 0.38
LPAR3 Q9UBY5 2/20 0.38
P2RX7 Q99572 1/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
HTT P42858 1/20 0.37
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PPARA Q07869 1/20 0.35
ABCC3 O15438 1/20 0.35
ABCC4 O15439 1/20 0.35
ABCB11 O95342 1/20 0.35
CYP2C8 P10632 1/20 0.35
CYP2C9 P11712 1/20 0.35
ABCB4 P21439 1/20 0.35
ABCC2 Q92887 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
SCHEMBL2836559 0.90 ALDH1A1 (0.39) ALDH1A1LPAR1LPAR3P2RX7NPC1
SCHEMBL2762347 0.90 LPAR1 (0.41) ALDH1A1ALOX5ALOX5APLPAR1LPAR3
SCHEMBL2839111 0.90 LPAR1 (0.41) ALDH1A1ALOX5ALOX5APLPAR1LPAR3
SCHEMBL2836880 0.88 RAB9A (0.42) ALDH1A1LPAR1LPAR3NPC1RAB9A
SCHEMBL2761302 0.88 RAB9A (0.42) ALDH1A1LPAR1LPAR3NPC1RAB9A
SCHEMBL2762720 0.87 TRPA1 (0.38) ALDH1A1LPAR1LPAR3NPC1RAB9A
SCHEMBL2762486 0.87 NTRK1 (0.39) ALDH1A1ALOX5ALOX5APLPAR1LPAR3
SCHEMBL16496671 0.83 CYP3A4 (0.42) ALDH1A1ALOX5ALOX5APLPAR1LPAR3
SCHEMBL2762232 0.83 MEN1 (0.40) ALDH1A1ALOX5ALOX5APLPAR1LPAR3
SCHEMBL2762285 0.81 SMN1; SMN2 (0.39) ALDH1A1LPAR1NPC1RAB9ASMN1; SMN2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2358688-B1 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS INC (US) 2014-03-12 EP disclosed
EP-2438048-B1 POLYCYCLIC ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS INC (US) 2013-12-18 EP disclosed
US-8440707-B2 Antagonists of lysophosphatidic acid receptors AMIRA PHARMACEUTICALS, INC. (US) 2013-05-14 US disclosed
US-8273780-B2 Polycyclic antagonists of lysophosphatidic acid receptors AMIRA PHARMACEUTICALS, INC. (US) 2012-09-25 US disclosed
US-20110301211-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-20100311799-A1 POLYCYCLIC ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-12-09 US disclosed
US-20100152257-A1 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-06-17 US 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 (4 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-20100152257-A1 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS LPAR1, LPAR2, LPAR4 ALDH1A1 3791/4885ALOX5 206/4885ALOX5AP 154/4885
US-20100311799-A1 POLYCYCLIC ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS LPAR1, LPAR2, LPAR4 ALDH1A1 4083/4885ALOX5 279/4885ALOX5AP 192/4885
US-20110301211-A1 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS LPAR1, LPAR2, LPAR4 ALDH1A1 3791/4885ALOX5 206/4885ALOX5AP 154/4885
US-20110301142-A1 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS LPAR1, LPAR2, LPAR4 ALDH1A1 3791/4885ALOX5 206/4885ALOX5AP 154/4885

“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.