SCHEMBL5043657

SCHEMBL5043657

CC(C)(C)c1ccc(SN)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
TSHR P16473 1/20 0.48
LMNA P02545 1/20 0.46
TYR P14679 1/20 0.46
NPC1 O15118 5/20 0.41
RAB9A P51151 5/20 0.41
MAPT P10636 2/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41
RECQL P46063 1/20 0.41
KMT2A Q03164 1/20 0.41
SLC22A2 O15244 1/20 0.41
SLC22A1 O15245 1/20 0.41
SLC22A3 O75751 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 1/20 0.39
KIF11 P52732 2/20 0.39

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
SCHEMBL22019949 0.80 ALDH1A1 (0.37) ALDH1A1TSHRLMNATYRMAPT
SCHEMBL2271509 0.78 TSHR (0.52) ALDH1A1TSHRLMNATYRNPC1
SCHEMBL916740 0.78 TSHR (0.52) ALDH1A1TSHRLMNATYRNPC1
SCHEMBL424728 0.76 TSHR (0.73) ALDH1A1TSHRLMNATYRNPC1
SCHEMBL10013103 0.76 TSHR (0.50) ALDH1A1TSHRLMNATYRNPC1
SCHEMBL799910 0.76 EPHX2 (0.53) ALDH1A1TSHRLMNATYRNPC1
SCHEMBL5043896 0.74 KIF11 (0.46) ALDH1A1TSHRKIF11CA1CA2
SCHEMBL16802090 0.74 LMNA (0.52) ALDH1A1TSHRLMNATYRMAPT
SCHEMBL15146228 0.74 TSHR (0.48) ALDH1A1TSHRLMNATYRNPC1
SCHEMBL11214660 0.74 TSHR (0.48) ALDH1A1TSHRLMNATYRNPC1

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
EP-1583762-B1 PYRROLYL-THIAZOLES AND THEIR USE AS CB 1 RECEPTOR INVERSE AGONISTS HOFFMANN LA ROCHE (CH) 2008-07-09 EP disclosed
US-7135488-B2 Pyrrolyl-thiazole derivatives HOFFMANN-LA ROCHE INC. (US) 2006-11-14 US disclosed
EP-1583762-A1 PYRROLYL-THIAZOLES AND THEIR USE AS CB 1 RECEPTOR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-10-12 EP 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
US-20040147572-A1 Novel pyrrolyl-thiazole derivatives HOFFMAN-LA ROCHE INC. 2004-07-29 US disclosed
WO-2004060888-A1 NOVEL CB 1 RECEPTOR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-07-22 WO 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 (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-20030203941-A1 Substituted phenyl compounds for the treatment of non-insulin dependent diabetes mellitus GPR119, INSR, SLC5A1 ALDH1A1 536/4885TSHR 605/4885LMNA 4191/4885
US-20040147572-A1 Novel pyrrolyl-thiazole derivatives CNR1, CNR2, NPY1R ALDH1A1 959/4885TSHR 98/4885LMNA 4423/4885

“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.