SCHEMBL3898075

SCHEMBL3898075

CCOC(=O)c1sc(-n2cnc3cc(O)c(O)cc32)nc1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
HSD17B10 Q99714 1/20 0.53
DHODH Q02127 12/20 0.52
HPGD P15428 1/20 0.51
CDC7 O00311 3/20 0.49
DBF4 Q9UBU7 3/20 0.49
MEN1 O00255 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
KMT2A Q03164 1/20 0.49
GSTO1 P78417 1/20 0.46
TRPM8 Q7Z2W7 1/20 0.46

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
SCHEMBL3888811 0.89 ALDH1A1 (0.52) ALDH1A1HSD17B10DHODHHPGDCDC7
SCHEMBL3893539 0.89 ALDH1A1 (0.52) ALDH1A1HSD17B10DHODHHPGDCDC7
SCHEMBL3892246 0.89 ALDH1A1 (0.51) ALDH1A1HSD17B10DHODHHPGDCDC7
SCHEMBL3891536 0.88 ALDH1A1 (0.57) ALDH1A1HSD17B10DHODHHPGDCDC7
SCHEMBL3892448 0.87 DHODH (0.53) ALDH1A1HSD17B10DHODHHPGDCDC7
SCHEMBL3894805 0.87 DHODH (0.53) ALDH1A1HSD17B10DHODHHPGDCDC7
SCHEMBL3889705 0.85 FGFR1 (0.51) ALDH1A1HPGDCDC7DBF4MEN1
SCHEMBL3889160 0.83 DHODH (0.47) ALDH1A1HSD17B10DHODHHPGDCDC7
SCHEMBL14441472 0.82 FGFR1 (0.45) ALDH1A1CDC7DBF4
SCHEMBL2493948 0.80 PIK3CD (0.46) ALDH1A1HSD17B10DHODHHPGDCDC7

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
US-7504513-B2 Thiazolyl-benzimidazoles HOFFMAN-LA ROCHE INC. (US) 2009-03-17 US disclosed
US-7504513-B2 Thiazolyl-benzimidazoles HOFFMAN-LA ROCHE INC. (US) 2009-03-17 US disclosed
US-7504513-B2 Thiazolyl-benzimidazoles HOFFMAN-LA ROCHE INC. (US) 2009-03-17 US disclosed
EP-1991543-A1 4-PHENYL-THIAZOLE-5-CARBOXYLIC ACIDS AND 4-PHENYL-THIAZOLE-5-CARBOXYLIC ACID AMIDES AS PLK1 INHIBITORS F. Hoffmann-La Roche AG (CH) 2008-11-19 EP disclosed
WO-2007096315-A1 4-PHENYL-THIAZOLE-5-CARBOXYLIC ACIDS AND 4-PHENYL-THIAZOLE-5-CARBOXYLIC ACID AMIDES AS PLK1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-30 WO disclosed
WO-2007096315-A1 4-PHENYL-THIAZOLE-5-CARBOXYLIC ACIDS AND 4-PHENYL-THIAZOLE-5-CARBOXYLIC ACID AMIDES AS PLK1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-30 WO disclosed
US-20070203210-A1 Thiazolyl-benzimidazoles BOYLAN JOHN FREDERICK 2007-08-30 US disclosed
US-20070203210-A1 Thiazolyl-benzimidazoles BOYLAN JOHN FREDERICK 2007-08-30 US disclosed
US-20070203210-A1 Thiazolyl-benzimidazoles BOYLAN JOHN FREDERICK 2007-08-30 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 (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-20070203210-A1 Thiazolyl-benzimidazoles CYP3A7, CYP2C19, CYP3A5 ALDH1A1 100/4885HSD17B10 683/4885DHODH 327/4885

“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.