SCHEMBL3371906

SCHEMBL3371906

Cc1nc(-c2ccc(C(C)(C)C)cc2)sc1CO

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.55
TNF P01375 1/20 0.48
NOD1 Q9Y239 1/20 0.48
PPARD Q03181 7/20 0.45
PPARA Q07869 7/20 0.45
PPARG P37231 4/20 0.45
NPC1 O15118 2/20 0.44
KDM4E B2RXH2 1/20 0.44
RAB9A P51151 1/20 0.44
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
FFAR1 O14842 4/20 0.42
COPS5 Q92905 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL1508353 0.86 NPC1 (0.58) MAPTPPARDPPARAPPARGNPC1
SCHEMBL8989130 0.83 KDM4E (0.54) MAPTPPARDKDM4ERAB9AGAA
SCHEMBL13883865 0.83 MAPT (0.54) MAPTTNFNOD1PPARDPPARA
SCHEMBL4474091 0.81 LMNA (0.48) MAPTNPC1KDM4ERAB9AALDH1A1
SCHEMBL95917 0.81 RAB9A (0.56) MAPTNPC1KDM4ERAB9AALDH1A1
SCHEMBL3077683 0.80 SMN1; SMN2 (0.56) MAPTPPARDNPC1KDM4ERAB9A
SCHEMBL4807401 0.79 MAPT (0.47) MAPTTNFNOD1PPARDPPARA
SCHEMBL279959 0.78 MAPT (0.53) MAPTTNFNOD1PPARDPPARA
SCHEMBL28295525 0.78 ALOX5 (0.60) MAPTLMNA
SCHEMBL3374725 0.75 MAPT (0.60) MAPTPPARDPPARAPPARGNPC1

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-1537091-B1 NOVEL 2-ARYLTHIAZOLE COMPOUNDS AS PPARALPHA AND PPARGAMMA AGONISTS HOFFMANN LA ROCHE (CH) 2010-10-06 EP disclosed
EP-1537091-A1 NOVEL 2-ARYLTHIAZOLE COMPOUNDS AS PPARALPHA AND PPARGAMMA AGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2005-06-08 EP 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
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 (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-20040110807-A1 Thiazole derivatives SLC5A1, GPR119, INSR MAPT 4327/4885TNF 3441/4885NOD1 75/4885

“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.