SCHEMBL4478832

SCHEMBL4478832

CCOC(=O)c1sc(-c2ccc(C(F)(F)F)cc2)nc1-c1ccccc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 6/20 0.75
DBF4 Q9UBU7 6/20 0.75
MEN1 O00255 3/20 0.71
KMT2A Q03164 3/20 0.71
MAPT P10636 2/20 0.71
KDM4E B2RXH2 1/20 0.71
HSP90AA1 P07900 1/20 0.71
CRHBP P24387 1/20 0.71
CRHR2 Q13324 1/20 0.71
DHODH Q02127 5/20 0.70
TRPM8 Q7Z2W7 3/20 0.61
ALDH1A1 P00352 2/20 0.60
HSD17B10 Q99714 1/20 0.60
RARA P10276 1/20 0.60
RARB P10826 1/20 0.60
RARG P13631 1/20 0.60
HPGD P15428 1/20 0.58
CYP1A2 P05177 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56

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
SCHEMBL4503056 0.89 CDC7 (0.88) CDC7DBF4MEN1KMT2AKDM4E
SCHEMBL953385 0.86 CDC7 (1.00) CDC7DBF4TRPM8ALDH1A1HSD17B10
SCHEMBL4809770 0.85 MAPT (0.70) CDC7DBF4MEN1KMT2AMAPT
SCHEMBL16039074 0.85 CDC7 (0.76) CDC7DBF4MEN1KMT2ADHODH
SCHEMBL1968897 0.84 MEN1 (0.65) CDC7DBF4MEN1KMT2AMAPT
SCHEMBL2886858 0.84 MAPT (0.80) CDC7DBF4MEN1KMT2AMAPT
SCHEMBL4467427 0.84 MAPT (0.67) CDC7DBF4MEN1KMT2AMAPT
SCHEMBL8341363 0.83 MAPT (0.78) CDC7DBF4MEN1KMT2AMAPT
SCHEMBL4801129 0.83 MAPT (0.78) CDC7DBF4MEN1KMT2AMAPT
SCHEMBL4467425 0.83 MEN1 (0.66) CDC7DBF4MEN1KMT2AMAPT

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 17 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
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-7259175-B2 Peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY (US) 2007-08-21 US disclosed
US-7259175-B2 Peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY (US) 2007-08-21 US disclosed
EP-1480640-B1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS LILLY CO ELI (US) 2007-08-15 EP 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
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
US-20050107449-A1 Peroxisome proliferator activated receptor modulators ELILILLY AND COMPANY 2005-05-19 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 CDC7 3619/4885DBF4 4380/4885MEN1 4670/4885
US-20050107449-A1 Peroxisome proliferator activated receptor modulators PPARG, PPARA, PPARD CDC7 2071/4885DBF4 4554/4885MEN1 4766/4885
US-20060217374-A1 Fused heterocyclic derivates as ppar modulators PPARG, PPARA, PPARD CDC7 3372/4885DBF4 3666/4885MEN1 4660/4885
US-20060084663-A1 Peroxisome proliferator activated receptor modulators PPARG, PPARA, PPARD CDC7 3921/4885DBF4 3473/4885MEN1 4409/4885

“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.