SCHEMBL11644

SCHEMBL11644

Cc1ccc(S(=O)(=O)NC(=O)Nc2c(C)noc2-c2ccc(-c3ccc(C4(C(=O)NS(=O)(=O)c5ccc(C)cc5)CC4)cc3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC3 O15438 1/20 0.47
ABCC4 O15439 1/20 0.47
ABCB11 O95342 1/20 0.47
CYP2C8 P10632 1/20 0.47
CYP2C9 P11712 1/20 0.47
ABCB4 P21439 1/20 0.47
LPAR1 Q92633 1/20 0.47
ABCC2 Q92887 1/20 0.47
SLCO1B3 Q9NPD5 1/20 0.47
SLCO1B1 Q9Y6L6 1/20 0.47
LMNA P02545 3/20 0.46
NLRP3 Q96P20 2/20 0.44
KMT2A Q03164 3/20 0.44
GAA P10253 1/20 0.43
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
FBP1 P09467 1/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 2/20 0.39

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
SCHEMBL18597944 0.90 ABCC3 (0.44) ABCC3ABCC4ABCB11CYP2C8CYP2C9
SCHEMBL2636512 0.87 LPAR1 (0.55) ABCC3ABCC4ABCB11CYP2C8CYP2C9
SCHEMBL7404 0.86 LPAR1 (0.61) ABCC3ABCC4ABCB11CYP2C8CYP2C9
SCHEMBL6988 0.82 LPAR1 (0.48) ABCC3ABCC4ABCB11CYP2C8CYP2C9
SCHEMBL6751 0.81 LPAR1 (0.52) ABCC3ABCC4ABCB11CYP2C8CYP2C9
SCHEMBL2636016 0.80 LPAR1 (0.54) ABCC3ABCC4ABCB11CYP2C8CYP2C9
SCHEMBL343602 0.79 LPAR1 (0.77) ABCC3ABCC4ABCB11CYP2C8CYP2C9
SCHEMBL2272 0.76 LPAR1 (0.40) ABCC3ABCC4ABCB11CYP2C8CYP2C9
SCHEMBL13720293 0.76 LPAR1 (0.47) ABCC3ABCC4ABCB11CYP2C8CYP2C9
SCHEMBL5380 0.75 LPAR1 (0.53) ABCC3ABCC4ABCB11CYP2C8CYP2C9

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-2483252-B1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC (US) 2017-03-08 EP claimed
US-9090573-B2 Compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2015-07-28 US claimed
US-20120289522-A1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC. 2012-11-15 US claimed
EP-2483252-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS Amira Pharmaceuticals, Inc. (US) 2012-08-08 EP claimed
WO-2011041694-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO claimed
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
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 ABCC3 3151/4885ABCC4 3263/4885ABCB11 2452/4885
US-20150329502-A1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR4 ABCC3 3151/4885ABCC4 3263/4885ABCB11 2452/4885

“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.