SCHEMBL6704

SCHEMBL6704

Cc1noc(-c2ccc(Br)cc2)c1NC(=O)NS(=O)(=O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.52
KDM4E B2RXH2 1/20 0.52
LPAR1 Q92633 4/20 0.48
LPAR3 Q9UBY5 2/20 0.48
EDNRB P24530 6/20 0.44
EDNRA P25101 6/20 0.44
LMNA P02545 2/20 0.43
EGFR P00533 1/20 0.43
ERBB2 P04626 1/20 0.43
KMT2A Q03164 1/20 0.43
NLRP3 Q96P20 2/20 0.42
ABCC3 O15438 1/20 0.42
ABCC4 O15439 1/20 0.42
ABCB11 O95342 1/20 0.42
CYP2C8 P10632 1/20 0.42
CYP2C9 P11712 1/20 0.42
ABCB4 P21439 1/20 0.42
ABCC2 Q92887 1/20 0.42
SLCO1B3 Q9NPD5 1/20 0.42
SLCO1B1 Q9Y6L6 1/20 0.42

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
SCHEMBL7404 0.83 LPAR1 (0.61) MAPTKDM4ELPAR1LPAR3EDNRB
SCHEMBL6003 0.80 LPAR1 (0.54) MAPTKDM4ELPAR1LPAR3EDNRB
SCHEMBL11389 0.79 NPC1 (0.51) MAPTKDM4ELPAR1LPAR3EDNRB
SCHEMBL7061 0.79 MAPT (0.53) MAPTKDM4ELPAR1LPAR3KMT2A
SCHEMBL6751 0.78 LPAR1 (0.52) MAPTKDM4ELPAR1LPAR3LMNA
SCHEMBL12466034 0.78 MAPT (0.55) MAPTKDM4ELPAR1LPAR3EDNRB
SCHEMBL18746102 0.76 LPAR1 (0.49) MAPTKDM4ELPAR1LPAR3EDNRB
SCHEMBL8479006 0.75 EDNRB (0.60) MAPTKDM4ELPAR1LPAR3EDNRB
SCHEMBL2636512 0.75 LPAR1 (0.55) MAPTKDM4ELPAR1LPAR3EDNRB
SCHEMBL8474213 0.74 EDNRB (0.56) EDNRBEDNRALMNA

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 MAPT 3775/4885KDM4E 4078/4885LPAR1 1/4885
US-20150329502-A1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR4 MAPT 3775/4885KDM4E 4078/4885LPAR1 1/4885

“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.