SCHEMBL10078634

SCHEMBL10078634

Cc1noc(-c2ccc(Br)cc2)c1C(C#N)C(C(=O)O)c1c(C)noc1-c1ccc(Br)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.35
LPAR1 Q92633 3/20 0.34
LPAR3 Q9UBY5 1/20 0.34
RXFP1 Q9HBX9 1/20 0.33
TRPA1 O75762 1/20 0.33
ALDH1A1 P00352 5/20 0.33
RAB9A P51151 5/20 0.33
NPC1 O15118 4/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
TRPV1 Q8NER1 1/20 0.33
HTT P42858 1/20 0.33
MAPT P10636 2/20 0.32
TP53 P04637 2/20 0.32
ABCC3 O15438 1/20 0.32
ABCC4 O15439 1/20 0.32
ABCB11 O95342 1/20 0.32
CYP2C8 P10632 1/20 0.32
CYP2C9 P11712 1/20 0.32
ABCB4 P21439 1/20 0.32
ABCC2 Q92887 1/20 0.32

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
SCHEMBL7475 0.78 PTPN1 (0.40) PTPN1LPAR1LPAR3RXFP1ALDH1A1
SCHEMBL13719969 0.73 ALDH1A1 (0.51) LPAR1LPAR3ALDH1A1SMN1; SMN2ABCC3
SCHEMBL18597743 0.72 ALDH1A1 (0.38) PTPN1LPAR1LPAR3ALDH1A1RAB9A
SCHEMBL14785 0.71 MEN1 (0.33) PTPN1LPAR1LPAR3RXFP1ALDH1A1
SCHEMBL4477 0.71 MEN1 (0.33) PTPN1LPAR1LPAR3RXFP1ALDH1A1
SCHEMBL2762470 0.70 TRPA1 (0.43) LPAR1TRPA1ALDH1A1RAB9ANPC1
SCHEMBL1563 0.69 PTPN1 (0.47) PTPN1LPAR1LPAR3RXFP1ALDH1A1
SCHEMBL1476 0.69 LPAR1 (0.43) LPAR1LPAR3ALDH1A1RAB9ASMN1; SMN2
SCHEMBL1448 0.69 BRD4 (0.35) PTPN1LPAR1LPAR3ALDH1A1RAB9A
SCHEMBL1279 0.69 CYP1A2 (0.43) PTPN1LPAR1LPAR3RXFP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9090573-B2 Compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2015-07-28 US disclosed
US-8778983-B2 Polycyclic compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2014-07-15 US disclosed
US-8664220-B2 Polycyclic compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2014-03-04 US disclosed
US-20130072490-A1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC. (US) 2013-03-21 US disclosed
US-20120289522-A1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC. 2012-11-15 US disclosed
US-8217066-B2 Compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2012-07-10 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 (2 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-20130072490-A1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR4 PTPN1 931/4885LPAR1 1/4885LPAR3 5/4885
US-20120289522-A1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR4 PTPN1 1141/4885LPAR1 1/4885LPAR3 5/4885

“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.