SCHEMBL4677660

SCHEMBL4677660

NC(=S)c1ccc(-c2ccccc2F)nc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.46
CYP11B1 P15538 4/20 0.44
IDO1 P14902 1/20 0.44
MPL P40238 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
ALOX5AP P20292 1/20 0.41
FEN1 P39748 1/20 0.41
CYP11B2 P19099 2/20 0.41
FFAR2 O15552 1/20 0.41
PARP1 P09874 1/20 0.40
GRM2 Q14416 1/20 0.39
HPGDS O60760 1/20 0.39
MLNR O43193 1/20 0.39
RAB9A P51151 1/20 0.38

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
SCHEMBL2070102 0.79 LDHA (0.62) NPC1CYP11B1FFAR2RAB9A
SCHEMBL4888457 0.76 LDHA (0.62) NPC1CYP11B1CYP11B2HPGDS
SCHEMBL2409596 0.74 NPC1 (0.53) NPC1CYP11B1IDO1MPLL3MBTL1
SCHEMBL1659140 0.74 CYP11B1 (0.56) NPC1CYP11B1IDO1MPLL3MBTL1
SCHEMBL29739622 0.74 NPC1 (0.53) NPC1CYP11B1IDO1MPLL3MBTL1
SCHEMBL29596848 0.74 MAPK1 (0.51) NPC1CYP11B1L3MBTL1FFAR2HPGDS
SCHEMBL28207103 0.72 FEN1 (0.62) NPC1L3MBTL1CASP3SENP8SENP7
SCHEMBL1543152 0.72 KDM4E (0.60) NPC1RAB9A
SCHEMBL28040903 0.71 FEN1 (0.54) NPC1L3MBTL1ALOX5APFEN1HPGDS
SCHEMBL2072004 0.71 FFAR2 (0.43) NPC1CYP11B1CYP11B2FFAR2MLNR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1480642-B1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS LILLY CO ELI (US) 2008-11-26 EP disclosed
US-7259175-B2 Peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY (US) 2007-08-21 US disclosed
US-7153878-B2 Peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY (US) 2006-12-26 US disclosed
US-20060084663-A1 Peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY, PATENT DIVISION (US) 2006-04-20 US disclosed
US-20050107449-A1 Peroxisome proliferator activated receptor modulators ELILILLY AND COMPANY 2005-05-19 US disclosed
EP-1480642-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2004-12-01 EP disclosed
EP-1480640-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2004-12-01 EP disclosed
WO-2003072102-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2003-09-04 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 (2 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-20050107449-A1 Peroxisome proliferator activated receptor modulators PPARG, PPARA, PPARD NPC1 613/4885CYP11B1 40/4885IDO1 3060/4885
US-20060084663-A1 Peroxisome proliferator activated receptor modulators PPARG, PPARA, PPARD NPC1 574/4885CYP11B1 137/4885IDO1 3679/4885

“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.