SCHEMBL4472919

SCHEMBL4472919

Cc1nc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)sc1CO

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PPARD Q03181 10/20 0.43
PPARA Q07869 8/20 0.43
PPARG P37231 7/20 0.43
SRC P12931 1/20 0.42
ZAP70 P43403 1/20 0.42
SYK P43405 1/20 0.42
MAPT P10636 3/20 0.42
NPC1 O15118 1/20 0.42
GAA P10253 1/20 0.42
FFAR1 O14842 5/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL1198943 0.86 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2PPARDPPARAPPARG
SCHEMBL4471873 0.85 MAPT (0.45) ALDH1A1SMN1; SMN2PPARDPPARAPPARG
SCHEMBL1508353 0.85 NPC1 (0.58) ALDH1A1PPARDPPARAPPARGMAPT
SCHEMBL6388947 0.76 MPL (0.43) ALDH1A1SMN1; SMN2PPARDPPARAPPARG
SCHEMBL5017176 0.76 PPARD (0.57) ALDH1A1PPARDPPARAPPARGMAPT
SCHEMBL8989130 0.76 KDM4E (0.54) PPARDMAPTGAAFFAR1
SCHEMBL3372790 0.75 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2PPARDPPARAPPARG
SCHEMBL8867441 0.75 SMN1; SMN2 (0.76) ALDH1A1SMN1; SMN2PPARAMAPTNPC1
SCHEMBL3527473 0.74 PPARD (0.42) ALDH1A1PPARDPPARAPPARGMAPT
SCHEMBL3371906 0.74 MAPT (0.55) ALDH1A1PPARDPPARAPPARGMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7528160-B2 Fused heterocyclic derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2009-05-05 US disclosed
US-7259175-B2 Peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY (US) 2007-08-21 US disclosed
US-20060217374-A1 Fused heterocyclic derivates as ppar modulators ELI LILLY AND COMPANY 2006-09-28 US disclosed
US-20060166983-A1 Indole derivatives as ppar modulators ELI LILLY AND COMPANY 2006-07-27 US disclosed
US-20060084663-A1 Peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY, PATENT DIVISION (US) 2006-04-20 US disclosed
EP-1581491-A1 INDOLE DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-10-05 EP disclosed
EP-1581521-A1 FUSED HETEROCYCLIC DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-10-05 EP disclosed
EP-1480642-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2004-12-01 EP disclosed
WO-2004092131-A1 INDOLE DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2004-10-28 WO disclosed
WO-2004063190-A1 FUSED HETEROCYCLIC DERIVATES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2004-07-29 WO disclosed
WO-2003072102-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2003-09-04 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-20060166983-A1 Indole derivatives as ppar modulators PPARA, PPARD, PPARG ALDH1A1 1181/4885SMN1; SMN2 4874/4885PPARD 2/4885
US-20060217374-A1 Fused heterocyclic derivates as ppar modulators PPARG, PPARA, PPARD ALDH1A1 1182/4885SMN1; SMN2 4859/4885PPARD 3/4885
US-20060084663-A1 Peroxisome proliferator activated receptor modulators PPARG, PPARA, PPARD ALDH1A1 1630/4885SMN1; SMN2 3832/4885PPARD 3/4885

“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.