SCHEMBL3372014

SCHEMBL3372014

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

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TP53 P04637 10/20 0.58
POLB P06746 2/20 0.45
LMNA P02545 3/20 0.44
MAPT P10636 3/20 0.44
KDM4E B2RXH2 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPC1 O15118 1/20 0.43
GAA P10253 1/20 0.43
RAB9A P51151 1/20 0.43
GFER P55789 1/20 0.43
ALDH1A1 P00352 1/20 0.42
HPGD P15428 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
SCHEMBL3370362 0.85 LMNA (0.58) TP53POLBLMNAMAPTKDM4E
SCHEMBL4899431 0.85 TP53 (0.55) TP53POLBLMNAMAPTKDM4E
SCHEMBL3369620 0.83 LMNA (0.57) TP53POLBLMNAMAPTKDM4E
SCHEMBL3369664 0.81 GFER (0.66) TP53POLBLMNAMAPTKDM4E
SCHEMBL2073499 0.80 GFER (0.68) TP53POLBLMNAMAPTKDM4E
SCHEMBL4902662 0.80 LMNA (0.63) TP53POLBLMNAMAPTKDM4E
SCHEMBL3371889 0.79 LMNA (0.56) POLBLMNAMAPTKDM4ESMN1; SMN2
SCHEMBL2072430 0.79 KDM4E (0.67) TP53POLBLMNAMAPTKDM4E
SCHEMBL3372943 0.79 GFER (0.46) TP53POLBLMNAMAPTKDM4E
SCHEMBL15349316 0.77 RAB9A (0.48) TP53POLBLMNAMAPTKDM4E

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 10 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-20080090829-A1 SUBSTITUTED HETEROARYL- AND PHENYLSULFAMOYL COMPOUNDS PFIZER INC. 2008-04-17 US disclosed
EP-1765796-A1 SUBSTITUTED HETEROARYL- AND PHENYLSULFAMOYL COMPOUNDS Pfizer Products Inc. (US) 2007-03-28 EP disclosed
US-20060229363-A1 Substituted Heteroaryl- and Phenylsulfamoyl Compounds HAMANAKA ERNEST S 2006-10-12 US disclosed
WO-2006003495-A1 SUBSTITUTED HETEROARYL- AND PHENYLSULFAMOYL COMPOUNDS PFIZER PRODUCTS INC. (US) 2006-01-12 WO disclosed
US-20050288340-A1 Substituted heteroaryl- and phenylsulfamoyl compounds PFIZER INC 2005-12-29 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

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

For each of this compound's patents that has machine-readable text (4 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-20060229363-A1 Substituted Heteroaryl- and Phenylsulfamoyl Compounds PPARA, PPARG, PPARD TP53 3260/4885POLB 1488/4885LMNA 317/4885
US-20050288340-A1 Substituted heteroaryl- and phenylsulfamoyl compounds PPARA, PPARG, PPARD TP53 3421/4885POLB 1807/4885LMNA 319/4885
US-20040110807-A1 Thiazole derivatives SLC5A1, GPR119, INSR TP53 4393/4885POLB 4773/4885LMNA 3464/4885
US-20080090829-A1 SUBSTITUTED HETEROARYL- AND PHENYLSULFAMOYL COMPOUNDS PPARA, PPARG, PPARD TP53 3421/4885POLB 1807/4885LMNA 319/4885

“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.