SCHEMBL2291864

SCHEMBL2291864

CC(C(=O)Cl)c1ccc(Br)cc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.48
ALOX5 P09917 1/20 0.47
CYP2D6 P10635 1/20 0.46
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.43
POLB P06746 1/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
PTGS2 P35354 1/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 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
SCHEMBL9257901 0.89 PTGS2 (0.46) ALOX5TSHRLMNAPTGS2
SCHEMBL28776369 0.83 PTGS2 (0.39) CYP1A2ALOX5CYP2D6TSHRLMNA
SCHEMBL4484070 0.82 CYP1A2 (0.52) CYP1A2ALOX5CYP2D6TSHRSMN1; SMN2
SCHEMBL5444246 0.80 ESR1 (0.52) CYP1A2ALOX5CYP2D6SMN1; SMN2LMNA
SCHEMBL2415101 0.80 ALOX5 (0.46) ALOX5SMN1; SMN2ALDH1A1LMNAPTGS2
SCHEMBL8956391 0.80 PTGS2 (0.61) CYP1A2ALOX5TSHRALDH1A1LMNA
SCHEMBL621292 0.80 BRD4 (0.50) SMN1; SMN2POLBALDH1A1PTGS2CES2
SCHEMBL421564 0.80 PTGS2 (0.61) CYP1A2ALOX5TSHRSMN1; SMN2ALDH1A1
SCHEMBL5149430 0.80 PTGS2 (0.61) CYP1A2ALOX5TSHRSMN1; SMN2ALDH1A1
SCHEMBL12280124 0.80 CYP1A2 (0.55) CYP1A2ALOX5CYP2D6TSHRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2358688-B1 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS INC (US) 2014-03-12 EP disclosed
US-8440707-B2 Antagonists of lysophosphatidic acid receptors AMIRA PHARMACEUTICALS, INC. (US) 2013-05-14 US disclosed
US-20110301142-A1 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. 2011-12-08 US disclosed
US-20110301211-A1 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. 2011-12-08 US disclosed
US-20110301142-A1 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. 2011-12-08 US disclosed
US-20110301142-A1 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. 2011-12-08 US disclosed
US-8048902-B2 Antagonists of lysophosphatidic acid receptors AMIRA PHARMACEUTICALS, INC. (US) 2011-11-01 US disclosed
EP-2358688-A2 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS Amira Pharmaceuticals, Inc. (US) 2011-08-24 EP disclosed
US-20110196005-A1 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC., (US) 2011-08-11 US disclosed
WO-2010077882-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
WO-2010077883-A2 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-07-08 WO disclosed
US-20100152257-A1 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-06-17 US disclosed
CN-1078586-C Phenylalkanamide derivatives and agrohor-ticultural bactericides KUMIAI CHEMICAL INDUSTRY CO (JP) 2002-01-30 CN disclosed
US-6075055-A EXCELLENT FUNGICIDAL ACTIVITIES WITH REGARD TO RICE BLAST AND THE LIKE, WHILE AT THE SAME TIME DO NOT HINDER DESIRABLE PLANT GROWTH KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2000-06-13 US disclosed
EP-0854134-B1 PHENYLALKANAMIDE DERIVATIVES AND AGROHORTICULTURAL BACTERICIDES KUMAII CHEMICAL INDUSTRY CO LT (JP) 2000-04-26 EP disclosed
CN-1192728-A Phenylalkanamide derivatives and agricultural or horticultural fungicides KUMIAI CHEMICAL INDUSTRY CO (JP) 1998-09-09 CN disclosed
EP-0854134-A1 PHENYLALKANAMIDE DERIVATIVES AND AGROHORTICULTURAL BACTERICIDES KumaiI Chemical Industry Co., Ltd. (JP) 1998-07-22 EP 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 (4 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-20100152257-A1 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS LPAR1, LPAR2, LPAR4 CYP1A2 4427/4885ALOX5 206/4885CYP2D6 4651/4885
US-20110196005-A1 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS LPAR1, LPAR2, LPAR4 CYP1A2 4427/4885ALOX5 206/4885CYP2D6 4651/4885
US-20110301211-A1 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS LPAR1, LPAR2, LPAR4 CYP1A2 4427/4885ALOX5 206/4885CYP2D6 4651/4885
US-20110301142-A1 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS LPAR1, LPAR2, LPAR4 CYP1A2 4427/4885ALOX5 206/4885CYP2D6 4651/4885

“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.