SCHEMBL4678052

SCHEMBL4678052

CCOC(=O)Cc1nc(-c2ccc(-c3ccccc3F)nc2)sc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
NPC1 O15118 1/20 0.42
PKM P14618 1/20 0.42
NFKB1 P19838 1/20 0.42
RAB9A P51151 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
RARA P10276 2/20 0.39
RARB P10826 2/20 0.39
RARG P13631 2/20 0.39
APEX1 P27695 1/20 0.38
SCD O00767 1/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
HPGD P15428 2/20 0.37
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL5850628 0.81 RARA (0.39) TRPM8L3MBTL1SMN1; SMN2RARARARB
SCHEMBL4674430 0.81 APEX1 (0.45) L3MBTL1NPC1RAB9AAPEX1SCD
SCHEMBL6604649 0.78 TRPM8 (0.56) TRPM8L3MBTL1NPC1PKMNFKB1
SCHEMBL4893734 0.77 GAA (0.53) TRPM8L3MBTL1NPC1PKMNFKB1
SCHEMBL4905599 0.76 PTPN11 (0.43) TRPM8L3MBTL1NPC1PKMNFKB1
SCHEMBL4678037 0.74 PPARG (0.51) PPARGPPARA
SCHEMBL4905523 0.73 MAPT (0.56) TRPM8L3MBTL1NPC1PKMNFKB1
SCHEMBL5851013 0.73 APEX1 (0.43) L3MBTL1NPC1APEX1SCD
SCHEMBL969119 0.73 MEN1 (0.59) TRPM8L3MBTL1NPC1PKMNFKB1
SCHEMBL3534461 0.73 TRPM8 (0.47) TRPM8L3MBTL1NPC1PKMNFKB1

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 5 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-20060084663-A1 Peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY, PATENT DIVISION (US) 2006-04-20 US disclosed
EP-1480642-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

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

For each of this compound's patents that has machine-readable text (1 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-20060084663-A1 Peroxisome proliferator activated receptor modulators PPARG, PPARA, PPARD TRPM8 1256/4885L3MBTL1 4049/4885NPC1 574/4885

“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.