SCHEMBL1471204

SCHEMBL1471204

CC1CC(C)CN(c2ccc(OC(F)(F)F)cc2)C1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 1/20 0.42
EPHX2 P34913 2/20 0.42
POLB P06746 2/20 0.41
CCR6 P51684 1/20 0.40
KCNH2 Q12809 1/20 0.40
LIPE Q05469 4/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CASR P41180 2/20 0.40
CACNA1B Q00975 1/20 0.39
GRM2 Q14416 1/20 0.39
KCNA5 P22460 1/20 0.39
MAPT P10636 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
CHRM4 P08173 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
SCHEMBL1471203 1.00 PPARD (0.42) PPARDEPHX2POLBCCR6KCNH2
SCHEMBL1471142 0.82 POLB (0.42) PPARDEPHX2POLBCCR6KCNH2
SCHEMBL1471144 0.82 POLB (0.42) PPARDEPHX2POLBCCR6KCNH2
Hydrochloric Acid SCHEMBL2072726 0.81 POLB (0.41) PPARDEPHX2POLBCCR6KCNH2
SCHEMBL12963662 0.81 PPARD (0.51) PPARDEPHX2POLBCCR6KCNH2
Hydrochloric Acid SCHEMBL2072724 0.81 POLB (0.41) PPARDEPHX2POLBCCR6KCNH2
SCHEMBL435084 0.80 EPHX2 (0.55) EPHX2POLBKCNH2CASRKCNA5
SCHEMBL22480002 0.79 KCNA5 (0.44) PPARDEPHX2CCR6KCNH2LIPE
SCHEMBL19733783 0.79 CASR (0.46) PPARDPOLBCCR6KCNH2LIPE
SCHEMBL19733790 0.79 CHRM4 (0.43) PPARDPOLBCCR6KCNH2L3MBTL1

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-1805158-B1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS MODULATORS OF PPAR KALYPSYS INC (US) 2018-06-27 EP disclosed
US-9463189-B2 Sulfonyl-substituted bicyclic compounds as PPAR modulators for the treatment of non-alcoholic steatohepatitis BPV HOLDINGS, LLC (US) 2016-10-11 US disclosed
US-20130252970-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS PPAR MODULATORS FOR THE TREATMENT OF NON-ALCOHOLIC STEATOHEPATITIS KALYPSYS, INC. (US) 2013-09-26 US disclosed
US-7915253-B2 4-[2,6-Dimethyl-4-(4-trifluoromethoxy-phenyl)-piperazine-1-sulfonyl]-indan-2-carboxylic acid; peroxisome proliferator activated receptors modulator; antidiabetic, antiinflammatory agent; obesity, hyperinsulinemia, metabolic syndrome X, polycystic ovary syndrome, ischemia-associated organ injury KALYPSYS, INC (US) 2011-03-29 US disclosed
US-7834004-B2 Sulfonyl-substituted bicyclic compounds as modulators of PPAR KALYPSYS, INC (US) 2010-11-16 US disclosed
US-20090264417-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS MODULATORS OF PPAR KALYPSYS, INC. (US) 2009-10-22 US disclosed
US-20090227599-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS MODULATORS OF PPAR KALYPSYS, INC. (US) 2009-09-10 US disclosed
US-7517884-B2 {5-[4-(4-Trifluoromethyl-phenyl)-piperazine-1-sulfonyl]-indan-2-yl}-acetic acid; peroxisome proliferator activated receptors modulator; antidiabetic, antiinflammatory agent; obesity, hyperinsulinemia, metabolic syndrome X, polycystic ovary syndrome, ischemia-associated organ injury, diabetes KALYPSYS INC. (US) 2009-04-14 US disclosed
US-7494999-B2 Sulfonyl-substituted bicyclic compounds as modulators of PPAR KALYPSYS, INC (US) 2009-02-24 US disclosed
US-20090029971-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS MODULATORS OF PPAR KALYPSYS, INC. (US) 2009-01-29 US disclosed
WO-2008091863-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS PPAR MODULATORS FOR THE TREATMENT OF NON-ALCOHOLIC STEATOHEPATITIS KALYPSYS, INC. (US) 2008-07-31 WO disclosed
US-20080176861-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS PPAR MODULATORS FOR THE TREATMENT OF NON-ALCOHOLIC STEATOHEPATITIS KALYPSYS, INC. (US) 2008-07-24 US disclosed
US-20080004281-A1 METHODS FOR THE MODULATION OF CRP BY THE SELECTIVE MODULATION OF PPAR DELTA KALYPSYS, INC. (US) 2008-01-03 US disclosed
US-20070249519-A1 METHODS FOR THE UPREGULATION OF GLUT4 VIA MODULATION OF PPAR DELTA IN ADIPOSE TISSUE AND FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2007-10-25 US disclosed
EP-1805158-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS MODULATORS OF PPAR Kalypsys, Inc. (US) 2007-07-11 EP disclosed
US-20060205736-A1 Sulfonyl-substituted bicyclic compounds as modulators of PPAR KALYPSYS, INC. 2006-09-14 US disclosed
US-20060167012-A1 Sulfonyl-substituted bicyclic compounds as modulators of PPAR KALYPSYS, INC. 2006-07-27 US disclosed
WO-2006055187-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS MODULATORS OF PPAR KALYPSYS, INC. (US) 2006-05-26 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 (9 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-20060167012-A1 Sulfonyl-substituted bicyclic compounds as modulators of PPAR PPARG, PPARA, PPARD PPARD 3/4885EPHX2 3006/4885POLB 2191/4885
US-20090029971-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS MODULATORS OF PPAR PPARG, PPARA, PPARD PPARD 3/4885EPHX2 3006/4885POLB 2191/4885
US-20080176861-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS PPAR MODULATORS FOR THE TREATMENT OF NON-ALCOHOLIC STEATOHEPATITIS PPARD, PPARG, PPARA PPARD 1/4885EPHX2 4186/4885POLB 3800/4885
US-20070249519-A1 METHODS FOR THE UPREGULATION OF GLUT4 VIA MODULATION OF PPAR DELTA IN ADIPOSE TISSUE AND FOR THE TREATMENT OF DISEASE FABP4, PPARG, PPARA PPARD 6/4885EPHX2 4592/4885POLB 3354/4885
US-20080004281-A1 METHODS FOR THE MODULATION OF CRP BY THE SELECTIVE MODULATION OF PPAR DELTA PPARD, PPARA, PPARG PPARD 1/4885EPHX2 3422/4885POLB 3156/4885
US-20090227599-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS MODULATORS OF PPAR PPARG, PPARA, PPARD PPARD 3/4885EPHX2 3006/4885POLB 2191/4885
US-20060205736-A1 Sulfonyl-substituted bicyclic compounds as modulators of PPAR PPARG, PPARA, PPARD PPARD 3/4885EPHX2 3006/4885POLB 2191/4885
US-20130252970-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS PPAR MODULATORS FOR THE TREATMENT OF NON-ALCOHOLIC STEATOHEPATITIS PPARD, PPARG, PPARA PPARD 1/4885EPHX2 4186/4885POLB 3800/4885
US-20090264417-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS MODULATORS OF PPAR PPARG, PPARA, PPARD PPARD 3/4885EPHX2 3006/4885POLB 2191/4885

“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.