SCHEMBL5070783

SCHEMBL5070783

CCOC(=O)c1sc(-c2ccc(OC(F)(F)F)cc2)nc1C

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CDC7 O00311 6/20 0.67
▸ DBF4 Q9UBU7 6/20 0.67
▸ MAPT P10636 3/20 0.60
▸ KDM4E B2RXH2 2/20 0.60
▸ MEN1 O00255 2/20 0.60
▸ KMT2A Q03164 2/20 0.60
▸ HSP90AA1 P07900 1/20 0.60
▸ CRHBP P24387 1/20 0.60
▸ CRHR2 Q13324 1/20 0.60
▸ PPARA Q07869 3/20 0.60
▸ PPARD Q03181 2/20 0.60
▸ TRPM8 Q7Z2W7 5/20 0.57
▸ ALDH1A1 P00352 2/20 0.54
▸ LMNA P02545 1/20 0.53
▸ PTPN11 Q06124 1/20 0.51
▸ PPARG P37231 1/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ GAA P10253 1/20 0.50

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
SCHEMBL289893 0.90 KDM4E (0.55) CDC7DBF4MAPTKDM4EMEN1
SCHEMBL8341727 0.87 PPARA (0.62) CDC7DBF4KDM4EPPARAPPARD
SCHEMBL2085303 0.87 CDC7 (0.73) CDC7DBF4MAPTKDM4EMEN1
SCHEMBL2886858 0.86 MAPT (0.80) CDC7DBF4MAPTKDM4EMEN1
SCHEMBL299586 0.86 CDC7 (0.61) CDC7DBF4MAPTKDM4EMEN1
SCHEMBL8341061 0.86 RAB9A (0.65) KDM4EPPARAPPARDALDH1A1PPARG
SCHEMBL28297246 0.86 CDC7 (0.71) CDC7DBF4MAPTKDM4EMEN1
SCHEMBL13046766 0.85 CDC7 (0.67) CDC7DBF4MAPTKDM4EMEN1
SCHEMBL4811278 0.84 MEN1 (0.66) CDC7DBF4MAPTKDM4EMEN1
SCHEMBL2885887 0.84 TRPM8 (0.78) CDC7DBF4MAPTKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1816550-B Indolyl derivatives substituted with a thiazole ring and their use as PPAR modulators HOFFMANN LA ROCHE 2010-04-28 — — CN disclosed
EP-1644368-B1 INDOLYL DERIVATIVES SUBSTITUTED WITH A THIAZOLE RING AND THEIR USE AS PPAR MODULATORS HOFFMANN LA ROCHE (CH) 2008-08-27 — — EP disclosed
US-7235572-B2 Thiazolyl-indole derivatives, their manufacture and use as pharmaceutical agents HOFFMAN-LA ROCHE INC. (US) 2007-06-26 — — US disclosed
CN-1816550-A Indolyl derivatives substituted with a thiazole ring and their use as ppar modulators HOFFMANN LA ROCHE (CH) 2006-08-09 — — CN disclosed
EP-1644368-A1 INDOLYL DERIVATIVES SUBSTITUTED WITH A THIAZOLE RING AND THEIR USE AS PPAR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2006-04-12 — — EP disclosed
WO-2005005423-A1 INDOLYL DERIVATIVES SUBSTITUTED WITH A THIAZOLE RING AND THEIR USE AS PPAR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-01-20 — — WO disclosed
US-20050004187-A1 Thiazolyl-indole derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. 2005-01-06 — — US 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-20050004187-A1 Thiazolyl-indole derivatives, their manufacture and use as pharmaceutical agents PPARD, PPARA, PPARG CDC7 4471/4885DBF4 3807/4885MAPT 3099/4885

“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.

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