SCHEMBL3369664

SCHEMBL3369664

CC(C)(C)c1ccc(-c2nc(CCl)cs2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 2/20 0.66
RAB9A P51151 4/20 0.65
NPC1 O15118 3/20 0.65
POLB P06746 1/20 0.65
GAA P10253 1/20 0.65
KDM4E B2RXH2 8/20 0.61
ALDH1A1 P00352 7/20 0.61
TDP1 Q9NUW8 5/20 0.61
MAPT P10636 4/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
TP53 P04637 1/20 0.54
LMNA P02545 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.47
TNF P01375 1/20 0.42
NOD1 Q9Y239 1/20 0.42
PPARG P37231 1/20 0.42
NCOA2 Q15596 1/20 0.42
NCOA1 Q15788 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
KIF11 P52732 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
SCHEMBL2236881 0.84 GFER (0.66) GFERRAB9ANPC1POLBGAA
SCHEMBL201539 0.81 GFER (0.72) GFERRAB9ANPC1POLBGAA
SCHEMBL3372014 0.81 TP53 (0.58) GFERRAB9ANPC1POLBGAA
SCHEMBL4899431 0.81 TP53 (0.55) GFERRAB9ANPC1POLBGAA
SCHEMBL31051065 0.80 RAB9A (0.97) GFERRAB9ANPC1POLBGAA
SCHEMBL203617 0.80 GFER (1.00) GFERRAB9ANPC1POLBGAA
SCHEMBL201736 0.78 GFER (0.72) GFERRAB9ANPC1POLBGAA
SCHEMBL19031364 0.78 GFER (0.72) GFERRAB9ANPC1POLBGAA
SCHEMBL19031390 0.78 GFER (0.72) GFERRAB9ANPC1POLBGAA
SCHEMBL2706140 0.78 GFER (0.72) GFERRAB9ANPC1POLBGAA

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-1537091-B1 NOVEL 2-ARYLTHIAZOLE COMPOUNDS AS PPARALPHA AND PPARGAMMA AGONISTS HOFFMANN LA ROCHE (CH) 2010-10-06 EP disclosed
US-6933322-B2 Substituted naphthylenes for the treatment of non-insulin dependent diabetes mellitus WYETH (US) 2005-08-23 US disclosed
US-6930131-B2 Aryl substituted 3-ethoxy phenyl trifluoromethane sulfonamides for the treatment of non-insulin dependent diabetes mellitus (NIDDM) WYETH (US) 2005-08-16 US 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
US-20030216442-A1 Substituted naphthylenes for the treatment of non-insulin dependent diabetes mellitus WYETH 2003-11-20 US disclosed
US-20030203941-A1 Substituted phenyl compounds for the treatment of non-insulin dependent diabetes mellitus WYETH (US) 2003-10-30 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 (3 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-20030203941-A1 Substituted phenyl compounds for the treatment of non-insulin dependent diabetes mellitus GPR119, INSR, SLC5A1 GFER 3972/4885RAB9A 1828/4885NPC1 922/4885
US-20040110807-A1 Thiazole derivatives SLC5A1, GPR119, INSR GFER 3449/4885RAB9A 2319/4885NPC1 300/4885
US-20030216442-A1 Substituted naphthylenes for the treatment of non-insulin dependent diabetes mellitus INSR, GPR119, SLC5A1 GFER 4211/4885RAB9A 1302/4885NPC1 218/4885

“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.