Sugi Predict

Sugi Predict / Compounds / SCHEMBL968444

SCHEMBL968444

SCHEMBL968444

Cc1sc(-c2ccc(C(F)(F)F)cc2)nc1CCO

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ MAPT P10636 3/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ HSP90AA1 P07900 1/20 0.47
▸ CRHBP P24387 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ CRHR2 Q13324 1/20 0.47
▸ CTSS P25774 1/20 0.44
▸ PPARD Q03181 6/20 0.42
▸ PPARA Q07869 6/20 0.42
▸ PPARG P37231 4/20 0.42
▸ FFAR1 O14842 4/20 0.42
▸ MAOB P27338 1/20 0.42

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
SCHEMBL4466375 0.92 NPC1 (0.47) NPC1ALDH1A1GAAMAPTKDM4E
SCHEMBL5102703 0.88 MAPT (0.52) NPC1ALDH1A1GAAMAPTKDM4E
SCHEMBL3368282 0.87 MAPT (0.46) NPC1ALDH1A1MAPTKDM4EPPARA
SCHEMBL27657151 0.86 NPC1 (0.46) NPC1ALDH1A1GAAMAPTKDM4E
SCHEMBL4902987 0.86 MAOB (0.50) NPC1ALDH1A1GAAMAPTKDM4E
SCHEMBL6602368 0.84 DCK (0.53) MAPTPPARAPPARG
SCHEMBL18015833 0.84 MAPT (0.50) NPC1ALDH1A1GAAMAPTKDM4E
SCHEMBL4469407 0.83 FFAR1 (0.46) NPC1ALDH1A1GAAMAPTKDM4E
SCHEMBL820915 0.83 PPARA (0.49) GAAKDM4EPPARAPPARG
SCHEMBL4906531 0.83 LMNA (0.49) MAPT

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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7910612-B2 4-oxy-N-[1,3,4]-thiadiazol-2-yl-benzene sulfonamides, pharmaceutical compositions and methods for their therapeutic use SANOFI-AVENTIS (FR) 2011-03-22 — — US disclosed
US-7910612-B2 4-oxy-N-[1,3,4]-thiadiazol-2-yl-benzene sulfonamides, pharmaceutical compositions and methods for their therapeutic use SANOFI-AVENTIS (FR) 2011-03-22 — — US disclosed
US-7872032-B2 1, 3, 4-oxadiazol-2-ones as PPAR delta modulators and their use thereof AVENTIS PARMACEUTICALS INC. (US) 2011-01-18 — — US disclosed
US-7872032-B2 1, 3, 4-oxadiazol-2-ones as PPAR delta modulators and their use thereof AVENTIS PARMACEUTICALS INC. (US) 2011-01-18 — — US disclosed
US-7872032-B2 1, 3, 4-oxadiazol-2-ones as PPAR delta modulators and their use thereof AVENTIS PARMACEUTICALS INC. (US) 2011-01-18 — — US disclosed
EP-1537091-B1 NOVEL 2-ARYLTHIAZOLE COMPOUNDS AS PPARALPHA AND PPARGAMMA AGONISTS HOFFMANN LA ROCHE (CH) 2010-10-06 — — EP disclosed
CN-1956984-B 1,3,4-oxadiazol-2-ones as PPAR-delta modulators SANOFI AVENTIS DEUTSCHLAND 2010-06-09 — — CN disclosed
CN-1816550-B Indolyl derivatives substituted with a thiazole ring and their use as PPAR modulators HOFFMANN LA ROCHE 2010-04-28 — — CN disclosed
US-7638539-B2 1, 3, 4-oxadiazol-2-ones as peroxisome-proliferator activated receptor delta modulators and their use in the treatment of neurological and metabolic disease AVENTIS PHARMACEUTICALS INC. (US) 2009-12-29 — — US disclosed
US-7638539-B2 1, 3, 4-oxadiazol-2-ones as peroxisome-proliferator activated receptor delta modulators and their use in the treatment of neurological and metabolic disease AVENTIS PHARMACEUTICALS INC. (US) 2009-12-29 — — US disclosed
WO-2005097763-A2 1,3,4-OXADIAZOL-2-ONES AS PPAR DELTA AVENTIS PHARMACEUTICALS INC. (US) 2005-10-20 — — WO disclosed
EP-1581521-A1 FUSED HETEROCYCLIC DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-10-05 — — EP disclosed
CN-1678596-A Novel 2-arylthiazole compounds as PPAR alpha and PPAR gamma agonists HOFFMANN LA ROCHE (CH) 2005-10-05 — — CN disclosed
EP-1537091-A1 NOVEL 2-ARYLTHIAZOLE COMPOUNDS AS PPARALPHA AND PPARGAMMA AGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2005-06-08 — — 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
US-6809110-B2 NONINSULIN DEPENDENT DIABETES; SUCH AS 2-ETHOXY-3-(4-(2-(5-METHYL-2-PHENYL-THIAZOL-4-YL)-ETHOXY)-BENZO(B)THIOPHEN-7-YL)-PROPIONIC ACID HOFFMANN-LA ROCHE INC. 2004-10-26 — — US disclosed
WO-2004063190-A1 FUSED HETEROCYCLIC DERIVATES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2004-07-29 — — WO disclosed
US-20040110807-A1 Thiazole derivatives HOFFMANN-LA ROCHE INC. 2004-06-10 — — US disclosed
WO-2004020420-A1 NOVEL 2-ARYLTHIAZOLE COMPOUNDS AS PPARALPHA AND PPARGAMA AGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2004-03-11 — — 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-20040110807-A1 Thiazole derivatives SLC5A1, GPR119, INSR NPC1 300/4885ALDH1A1 274/4885GAA 1642/4885
US-20050004187-A1 Thiazolyl-indole derivatives, their manufacture and use as pharmaceutical agents PPARD, PPARA, PPARG NPC1 601/4885ALDH1A1 627/4885GAA 3775/4885

“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.