SCHEMBL3098533

SCHEMBL3098533

CCOC(=O)c1sc(N)nc1CC(C)(C)C

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.65
HPGD P15428 6/20 0.65
CYP1A2 P05177 1/20 0.61
HSD17B10 Q99714 2/20 0.52
LMNA P02545 2/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
FBP1 P09467 1/20 0.44
MAPT P10636 6/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
GAA P10253 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
KDM4E B2RXH2 3/20 0.42
CDC7 O00311 1/20 0.42
DBF4 Q9UBU7 1/20 0.42
GLA P06280 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
ATM Q13315 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
SCHEMBL859765 0.84 ALDH1A1 (0.69) ALDH1A1HPGDCYP1A2HSD17B10LMNA
SCHEMBL1552396 0.84 ALDH1A1 (0.69) ALDH1A1HPGDCYP1A2HSD17B10LMNA
SCHEMBL2082176 0.83 ALDH1A1 (0.67) ALDH1A1HPGDCYP1A2HSD17B10LMNA
SCHEMBL2720641 0.81 ALDH1A1 (0.63) ALDH1A1HPGDCYP1A2HSD17B10LMNA
SCHEMBL2823884 0.81 ALDH1A1 (0.63) ALDH1A1HPGDCYP1A2HSD17B10LMNA
SCHEMBL2823857 0.80 ALDH1A1 (0.58) ALDH1A1HPGDCYP1A2HSD17B10LMNA
SCHEMBL5225289 0.80 ALDH1A1 (0.42) ALDH1A1HPGDCYP1A2HSD17B10KMT2A
SCHEMBL13125915 0.79 ALDH1A1 (0.61) ALDH1A1HPGDCYP1A2HSD17B10LMNA
SCHEMBL289519 0.79 ALDH1A1 (1.00) ALDH1A1HPGDCYP1A2HSD17B10LMNA
SCHEMBL244752 0.78 ALDH1A1 (0.73) ALDH1A1HPGDCYP1A2HSD17B10LMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7795289-B2 Use of acylaminothiazole derivatives as therapeutic agents SANOFI-AVENTIS (FR) 2010-09-14 US disclosed
US-20080051436-A1 Use of Acylaminothiazole Derivatives as Therapeutic Agents SANOFI-AVENTIS (FR) 2008-02-28 US disclosed
US-7291636-B2 Acylaminothiazole derivatives, preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2007-11-06 US disclosed
US-20050182104-A1 Acylaminothiazole derivatives, preparation and therapeutic use thereof SANOFI-SYNTHELABO (FR) 2005-08-18 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-20080051436-A1 Use of Acylaminothiazole Derivatives as Therapeutic Agents BACE1, BACE2, ATG4A ALDH1A1 1460/4885HPGD 2538/4885CYP1A2 2175/4885
US-20050182104-A1 Acylaminothiazole derivatives, preparation and therapeutic use thereof BACE1, APP, BACE2 ALDH1A1 1639/4885HPGD 2917/4885CYP1A2 2038/4885

“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.