SCHEMBL6003

SCHEMBL6003

Cc1noc(-c2ccc(Br)cc2)c1NC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 5/20 0.54
LPAR3 Q9UBY5 3/20 0.54
MAPT P10636 4/20 0.52
KDM4E B2RXH2 1/20 0.52
ABCC3 O15438 1/20 0.46
ABCC4 O15439 1/20 0.46
ABCB11 O95342 1/20 0.46
CYP2C8 P10632 1/20 0.46
CYP2C9 P11712 1/20 0.46
ABCB4 P21439 1/20 0.46
ABCC2 Q92887 1/20 0.46
SLCO1B3 Q9NPD5 1/20 0.46
SLCO1B1 Q9Y6L6 1/20 0.46
LPAR2 Q9HBW0 2/20 0.44
ALDH1A1 P00352 2/20 0.42
POLB P06746 2/20 0.42
PTPN1 P18031 1/20 0.42
TP53 P04637 2/20 0.41
TRPV1 Q8NER1 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40

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
SCHEMBL18746102 0.88 LPAR1 (0.49) LPAR1LPAR3MAPTKDM4EABCC3
SCHEMBL4037272 0.88 MAPT (0.54) LPAR1LPAR3MAPTKDM4EABCC3
SCHEMBL2761525 0.87 LPAR1 (0.57) LPAR1LPAR3MAPTKDM4EABCC3
SCHEMBL2761636 0.86 MAPT (0.53) LPAR1LPAR3MAPTKDM4EABCC3
SCHEMBL4035675 0.86 MAPT (0.67) LPAR1LPAR3MAPTKDM4EABCC3
SCHEMBL4034870 0.85 MAPT (0.52) LPAR1LPAR3MAPTKDM4EABCC3
SCHEMBL12465807 0.85 MAPT (0.52) LPAR1LPAR3MAPTKDM4EABCC3
SCHEMBL3710978 0.85 MAPT (0.52) LPAR1LPAR3MAPTKDM4EABCC3
SCHEMBL12467498 0.85 MAPT (0.52) LPAR1LPAR3MAPTKDM4EABCC3
SCHEMBL4304 0.84 RAB9A (0.40) LPAR1LPAR3MAPTKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3728210-A1 ISOXAZOLE N-LINKED CARBAMOYL CYCLOHEXYL ACIDS AS LPA ANTAGONISTS Bristol-Myers Squibb Company (US) 2020-10-28 EP disclosed
US-20200308157-A1 ISOXAZOLE N-LINKED CARBAMOYL CYCLOHEXYL ACIDS AS LPA ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2020-10-01 US disclosed
US-20140213538-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. 2014-07-31 US disclosed
WO-2014113485-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2014-07-24 WO disclosed
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
EP-2648726-A1 POLYCYCLIC LPA1 ANTAGONIST AND USES THEREOF Amira Pharmaceuticals, Inc. (US) 2013-10-16 EP disclosed
EP-2483252-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS Amira Pharmaceuticals, Inc. (US) 2012-08-08 EP disclosed
WO-2012078805-A1 POLYCYCLIC LPA1 ANTAGONIST AND USES THEREOF AMIRA PHARMACEUTICALS, INC. (US) 2012-06-14 WO disclosed
EP-2438048-A2 POLYCYCLIC ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS Amira Pharmaceuticals, Inc. (US) 2012-04-11 EP disclosed
WO-2011159550-A2 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONIST AND USES THEREOF AMIDRA PHARMACEUTICALS, INC. (US) 2011-12-22 WO disclosed
WO-2011041694-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO disclosed
WO-2010141761-A2 POLYCYCLIC ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-12-09 WO disclosed
WO-2010141768-A2 POLYCYCLIC ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-12-09 WO disclosed
WO-2010077883-A2 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-07-08 WO disclosed
WO-2010077882-A2 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-07-08 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 (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-20140213538-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 LPAR1 1/4885LPAR3 5/4885MAPT 4564/4885
US-20200308157-A1 ISOXAZOLE N-LINKED CARBAMOYL CYCLOHEXYL ACIDS AS LPA ANTAGONISTS LPAR1, LPAR2, LPAR5 LPAR1 1/4885LPAR3 5/4885MAPT 1326/4885

“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.