SCHEMBL6363

SCHEMBL6363

Cc1noc(-c2ccc(Br)cc2)c1NC(C)CSc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 5/20 0.42
LPAR3 Q9UBY5 3/20 0.42
MTNR1A P48039 3/20 0.39
MTNR1B P49286 3/20 0.39
LPAR2 Q9HBW0 2/20 0.38
ABCC3 O15438 1/20 0.37
ABCC4 O15439 1/20 0.37
ABCB11 O95342 1/20 0.37
CYP2C8 P10632 1/20 0.37
CYP2C9 P11712 1/20 0.37
ABCB4 P21439 1/20 0.37
ABCC2 Q92887 1/20 0.37
SLCO1B3 Q9NPD5 1/20 0.37
SLCO1B1 Q9Y6L6 1/20 0.37
MAOA P21397 2/20 0.37
MAPT P10636 4/20 0.36
KDM4E B2RXH2 1/20 0.36
MAOB P27338 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
TDP1 Q9NUW8 2/20 0.34

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
SCHEMBL1165 0.80 KMT2A (0.45) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL14621 0.80 LPAR1 (0.61) LPAR1LPAR3MTNR1AMTNR1BLPAR2
SCHEMBL6983 0.79 LPAR1 (0.45) LPAR1LPAR3MTNR1AMTNR1BLPAR2
SCHEMBL6364 0.78 LPAR1 (0.42) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL9213 0.78 LPAR1 (0.42) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL7386 0.78 SMN1; SMN2 (0.38) LPAR1LPAR3MAOAMAPTMAOB
SCHEMBL6760 0.76 LPAR1 (0.47) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL14798 0.76 LPAR1 (0.52) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL2194 0.75 LPAR1 (0.43) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL6544 0.75 LPAR1 (0.40) LPAR1LPAR3LPAR2ABCC3ABCC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9624182-B2 Compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2017-04-18 US disclosed
US-9624182-B2 Compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2017-04-18 US disclosed
EP-2483252-B1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC (US) 2017-03-08 EP disclosed
EP-2483252-B1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC (US) 2017-03-08 EP disclosed
US-20150329502-A1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2015-11-19 US disclosed
US-20150329502-A1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2015-11-19 US disclosed
US-9090573-B2 Compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2015-07-28 US disclosed
US-9090573-B2 Compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2015-07-28 US disclosed
US-20120289522-A1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC. 2012-11-15 US disclosed
US-20120289522-A1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC. 2012-11-15 US disclosed
EP-2483252-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS Amira Pharmaceuticals, Inc. (US) 2012-08-08 EP disclosed
WO-2011041694-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO disclosed
WO-2011041694-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 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-20120289522-A1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR4 LPAR1 1/4885LPAR3 5/4885MTNR1A 229/4885
US-20150329502-A1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR4 LPAR1 1/4885LPAR3 5/4885MTNR1A 229/4885

“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.