SCHEMBL695733

SCHEMBL695733

Cc1csc(-c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 6/20 0.44
POLB P06746 2/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
HDAC1 Q13547 3/20 0.37
HDAC2 Q92769 3/20 0.37
HDAC3 O15379 2/20 0.37
CHEK1 O14757 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 1/20 0.37
SLC6A7 Q99884 1/20 0.36
LTA4H P09960 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL1622506 0.83 TSHR (0.46) KIF11MAPTHDAC1HDAC2HDAC3
SCHEMBL695227 0.80 SLC6A7 (0.41) POLBMAPTHDAC1HDAC2HDAC3
SCHEMBL18328886 0.79 KIF11 (0.45) KIF11LTA4H
SCHEMBL23452109 0.77 KIF11 (0.58) KIF11LTA4H
SCHEMBL28147641 0.76 HDAC1 (0.40) MAPTHDAC1HDAC2HDAC3CHEK1
SCHEMBL5862758 0.75 PTPN5 (0.42) KIF11
SCHEMBL13183603 0.75 HSD17B1 (0.44) SLC6A7
SCHEMBL4200384 0.75 CNR1 (0.41) POLBMAPTHDAC1HDAC2HDAC3
SCHEMBL28268808 0.75 HSD17B1 (0.55) HDAC1HDAC2HDAC3SLC6A7
SCHEMBL17515299 0.74 PDE2A (0.37) HDAC1HDAC2HDAC3CHEK1GRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2421825-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP disclosed
WO-2010124108-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO disclosed
US-20100120748-A1 BENZOAZEPIN-OXY-ACETIC ACID DERIVATIVES AS PPAR-DELTA AGONISTS USED FOR THE INCREASE OF HDL-C, LOWER LDL-C AND LOWER CHOLESTEROL CYMABAY THERAPEUTICS, INC. 2010-05-13 US disclosed
US-7678786-B2 Benzoazepin-oxy-acetic acid derivatives as PPAR-delta agonists used for the increase of HDL-C, lower LDL-C and lower cholesterol JANSSEN PHARMACEUTICA NV (BE) 2010-03-16 US disclosed
CN-100582104-C Oxadiazolone derivatives as PPAR delta agonists SANOFI AVENTIS DEUTSCHLAND 2010-01-20 CN disclosed
US-20090176863-A1 THIOPHENE DERIVATIVE PPAR MODULATORS MANTLO NATHAN BRYAN 2009-07-09 US disclosed
US-20090176863-A1 THIOPHENE DERIVATIVE PPAR MODULATORS MANTLO NATHAN BRYAN 2009-07-09 US disclosed
US-7504433-B2 Thiophene derivative PPAR modulators ELI LILLY AND COMPANY (US) 2009-03-17 US disclosed
US-7504433-B2 Thiophene derivative PPAR modulators ELI LILLY AND COMPANY (US) 2009-03-17 US disclosed
US-7091237-B2 Furan and thiophene derivatives that activate human peroxisome proliferator activated receptors SMITHKLINE BEECHAM CORPORATION (US) 2006-08-15 US disclosed
EP-1392674-B1 FURAN AND THIOPHENE DERIVATIVES THAT ACTIVATE HUMAN PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS SMITHKLINE BEECHAM CORP (US) 2005-08-10 EP disclosed
US-20040157890-A1 Furan and thiophene derivatives that activate human peroxisome profilerator activated receptors GLAXO GROUP LIMITED (GB) 2004-08-12 US disclosed
CN-1507442-A Furan and thiophene derivatives that activate human peroxisome proliferator activated receptors 2004-06-23 CN disclosed
EP-1392674-A1 FURAN AND THIOPHENE DERIVATIVES THAT ACTIVATE HUMAN PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS GLAXO GROUP LIMITED (GB) 2004-03-03 EP disclosed
WO-2002092590-A1 FURAN AND THIOPHENE DERIVATIVES THAT ACTIVATE HUMAN PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS GLAXO GROUP LIMITED (GB) 2002-11-21 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 (3 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-20040157890-A1 Furan and thiophene derivatives that activate human peroxisome profilerator activated receptors PPARG, PPARD, PPARA KIF11 4320/4885POLB 2541/4885MAPT 3315/4885
US-20100120748-A1 BENZOAZEPIN-OXY-ACETIC ACID DERIVATIVES AS PPAR-DELTA AGONISTS USED FOR THE INCREASE OF HDL-C, LOWER LDL-C AND LOWER CHOLESTEROL PPARD, PPARG, PPARA KIF11 3158/4885POLB 1782/4885MAPT 2521/4885
US-20090176863-A1 THIOPHENE DERIVATIVE PPAR MODULATORS PPARA, PPARG, PPARD KIF11 2925/4885POLB 2773/4885MAPT 4459/4885

“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.