SCHEMBL4473926

SCHEMBL4473926

CO/C=C(\C)c1sc(-c2ccc(C(F)(F)F)cc2)nc1C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
NPC1 O15118 2/20 0.57
GAA P10253 1/20 0.57
MAPT P10636 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
KDM4E B2RXH2 1/20 0.49
HSP90AA1 P07900 1/20 0.49
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
PPARA Q07869 11/20 0.47
NR1H4 Q96RI1 1/20 0.47
PPARD Q03181 4/20 0.46
PPARG P37231 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43

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
SCHEMBL4473931 1.00 ALDH1A1 (0.57) ALDH1A1NPC1GAAMAPTMEN1
SCHEMBL4470253 0.84 KDM4E (0.46) ALDH1A1NPC1GAAMAPTMEN1
SCHEMBL4470269 0.84 KDM4E (0.46) ALDH1A1NPC1GAAMAPTMEN1
SCHEMBL4462657 0.80 ALDH1A1 (0.71) ALDH1A1NPC1GAAMAPTMEN1
SCHEMBL2168235 0.79 ALDH1A1 (0.70) ALDH1A1NPC1GAAMAPTMEN1
SCHEMBL15656353 0.79 ALDH1A1 (0.70) ALDH1A1NPC1GAAMAPTMEN1
SCHEMBL981341 0.77 SMN1; SMN2 (0.71) ALDH1A1NPC1GAAMAPTMEN1
SCHEMBL3825573 0.76 ALDH1A1 (0.74) ALDH1A1NPC1GAAMAPTMEN1
SCHEMBL3054846 0.76 GAA (0.74) ALDH1A1NPC1GAAMAPTMEN1
SCHEMBL8919336 0.76 NPC1 (0.57) ALDH1A1NPC1GAAMAPTMEN1

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-7528160-B2 Fused heterocyclic derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2009-05-05 US disclosed
EP-1480640-B1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS LILLY CO ELI (US) 2007-08-15 EP disclosed
US-7153878-B2 Peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY (US) 2006-12-26 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
EP-1581491-A1 INDOLE DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-10-05 EP disclosed
US-20050107449-A1 Peroxisome proliferator activated receptor modulators ELILILLY AND COMPANY 2005-05-19 US disclosed
EP-1480640-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-2003072100-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 1181/4885NPC1 862/4885GAA 2159/4885
US-20050107449-A1 Peroxisome proliferator activated receptor modulators PPARG, PPARA, PPARD ALDH1A1 1311/4885NPC1 613/4885GAA 3123/4885
US-20060217374-A1 Fused heterocyclic derivates as ppar modulators PPARG, PPARA, PPARD ALDH1A1 1182/4885NPC1 638/4885GAA 804/4885

“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.