SCHEMBL7194

SCHEMBL7194

Cc1noc(-c2ccc(Br)cc2)c1[C@H](O)C[S+]([O-])Cc1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 11/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
LMNA P02545 2/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LPAR1 Q92633 2/20 0.34
BRD2 P25440 3/20 0.33
BRD3 Q15059 2/20 0.33
STAT3 P40763 1/20 0.32
LPAR3 Q9UBY5 1/20 0.32
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2C19 P33261 2/20 0.32
CYP2C9 P11712 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP2D6 P10635 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 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
SCHEMBL7195 1.00 BRD4 (0.34) BRD4SMN1; SMN2LMNARAB9AL3MBTL1
SCHEMBL7196 0.82 SMN1; SMN2 (0.34) BRD4SMN1; SMN2LMNARAB9AL3MBTL1
SCHEMBL6838 0.81 L3MBTL1 (0.40) BRD4SMN1; SMN2LMNARAB9AL3MBTL1
SCHEMBL13830791 0.80 LPAR1 (0.39) BRD4SMN1; SMN2LPAR1BRD2BRD3
SCHEMBL6830 0.79 RAB9A (0.34) BRD4SMN1; SMN2LMNARAB9AL3MBTL1
SCHEMBL2086 0.79 LPAR1 (0.38) SMN1; SMN2LMNARAB9AL3MBTL1LPAR1
SCHEMBL1924 0.79 AR (0.38) BRD4SMN1; SMN2LMNARAB9AL3MBTL1
SCHEMBL6942 0.79 LPAR1 (0.38) SMN1; SMN2LMNARAB9AL3MBTL1LPAR1
SCHEMBL1908 0.79 AR (0.38) BRD4SMN1; SMN2LMNARAB9AL3MBTL1
SCHEMBL6663 0.78 ABCC3 (0.42) LPAR1CYP2C9KDM4E

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 17 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
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-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-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
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 BRD4 1128/4885SMN1; SMN2 3852/4885LMNA 787/4885
US-20150329502-A1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR4 BRD4 1128/4885SMN1; SMN2 3852/4885LMNA 787/4885

“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.