SCHEMBL3960372

SCHEMBL3960372

CC(C)c1cc(-c2ccc(C(F)(F)F)cc2)sc1CO

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 2/20 0.38
STK17B O94768 1/20 0.37
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
KCNH2 Q12809 1/20 0.35
TRPV3 Q8NET8 1/20 0.35
KIF11 P52732 1/20 0.35
GGPS1 O95749 1/20 0.35
FDPS P14324 1/20 0.35
GPR52 Q9Y2T5 1/20 0.35
AGXT P21549 1/20 0.35

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
SCHEMBL2245501 0.81 CCR1 (0.40) STK17BPSEN1PSEN2APH1BNCSTN
SCHEMBL3955386 0.79 JAK2 (0.38) STK17BAKR1C3AKR1C2PSEN1PSEN2
SCHEMBL5860969 0.78 STK17B (0.40) STK17BAKR1C3AKR1C2PSEN1PSEN2
SCHEMBL3960212 0.78 STK17B (0.39) STK17BPSEN1PSEN2APH1BNCSTN
SCHEMBL5860675 0.78 STK17B (0.36) STK17BAKR1C3AKR1C2PSEN1PSEN2
SCHEMBL27746951 0.75 AKR1C3 (0.38) PDE2AAKR1C3AKR1C2KIF11
SCHEMBL4321004 0.75 GGPS1 (0.36) PDE2ASTK17BAKR1C3AKR1C2PSEN1
SCHEMBL6385083 0.74 CCR1 (0.39) PDE2ASTK17BAKR1C3AKR1C2PSEN1
SCHEMBL4097006 0.73 HSD17B1 (0.35) PPARDPPARAGPR52
SCHEMBL24656248 0.73 PPARD (0.37) PPARDPPARA

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-2014652-B1 ACTIVATING AGENT FOR PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR NIPPON CHEMIPHAR CO (JP) 2014-08-06 EP disclosed
US-20130217734-A1 ACTIVATING AGENT FOR PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR DELTA NIPPON CHEMIPHAR CO., LTD. (JP) 2013-08-22 US disclosed
US-8404726-B2 Activating agent for peroxisome proliferator activated receptor δ NIPPON CHEMIPHAR CO. LTD. (JP) 2013-03-26 US disclosed
US-20090298896-A1 ACTIVATING AGENT FOR PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR DELTA NIPPON CHEMIPHAR CO. LTD 2009-12-03 US disclosed
US-20090240058-A1 Activator for Peroxisome Proliferator-Activating Receptor Delta NIPPON CHEMIPHAR CO., LTD. (JP) 2009-09-24 US 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-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-7504433-B2 Thiophene derivative PPAR modulators ELI LILLY AND COMPANY (US) 2009-03-17 US disclosed
EP-2014652-A1 ACTIVATING AGENT FOR PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR Nippon Chemiphar Co., Ltd. (JP) 2009-01-14 EP disclosed
EP-1854784-A1 ACTIVATOR FOR PEROXISOME PROLIFERATOR ACTIVATING RECEPTOR Nippon Chemiphar Co., Ltd. (JP) 2007-11-14 EP disclosed
US-20060094768-A1 Thiophene derivative ppar modulators ELI LILLY AND COMPANY 2006-05-04 US disclosed
EP-1583754-A1 THIOPHENE DERIVATIVE PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-10-12 EP disclosed
WO-2004063184-A1 THIOPHENE DERIVATIVE PPAR MODULATORS ELI LILLY AND COMPANY (US) 2004-07-29 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 (5 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-20090298896-A1 ACTIVATING AGENT FOR PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR DELTA PPARA, PPARG, PPARD PDE2A 1485/4885STK17B 835/4885AKR1C3 1277/4885
US-20090176863-A1 THIOPHENE DERIVATIVE PPAR MODULATORS PPARA, PPARG, PPARD PDE2A 1380/4885STK17B 2813/4885AKR1C3 798/4885
US-20060094768-A1 Thiophene derivative ppar modulators PPARA, PPARG, PPARD PDE2A 1372/4885STK17B 2832/4885AKR1C3 812/4885
US-20090240058-A1 Activator for Peroxisome Proliferator-Activating Receptor Delta PPARG, PPARA, PPARD PDE2A 1605/4885STK17B 2037/4885AKR1C3 1548/4885
US-20130217734-A1 ACTIVATING AGENT FOR PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR DELTA PPARA, PPARG, PPARD PDE2A 1485/4885STK17B 835/4885AKR1C3 1277/4885

“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.