SCHEMBL3889160

SCHEMBL3889160

CCOC(=O)c1sc(-n2cnc3cc(OCCOC)ccc32)nc1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 9/20 0.47
ALDH1A1 P00352 2/20 0.47
HSD17B10 Q99714 1/20 0.47
HPGD P15428 1/20 0.46
FGFR1 P11362 2/20 0.45
CDC7 O00311 2/20 0.44
DBF4 Q9UBU7 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
GAA P10253 1/20 0.42
GSTO1 P78417 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
PPARG P37231 1/20 0.41
NCOA2 Q15596 1/20 0.41
NCOA1 Q15788 1/20 0.41

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
SCHEMBL3894805 0.92 DHODH (0.53) DHODHALDH1A1HSD17B10HPGDFGFR1
SCHEMBL3893334 0.90 FGFR1 (0.46) HPGDFGFR1GAANPSR1
SCHEMBL3888811 0.86 ALDH1A1 (0.52) DHODHALDH1A1HSD17B10HPGDFGFR1
SCHEMBL3892448 0.85 DHODH (0.53) DHODHALDH1A1HSD17B10HPGDCDC7
SCHEMBL3891536 0.84 ALDH1A1 (0.57) DHODHALDH1A1HSD17B10HPGDCDC7
SCHEMBL3893366 0.83 ALDH1A1 (0.44) ALDH1A1HPGDFGFR1CYP1A2GAA
SCHEMBL3892246 0.83 ALDH1A1 (0.51) DHODHALDH1A1HSD17B10HPGDFGFR1
SCHEMBL3898075 0.83 ALDH1A1 (0.53) DHODHALDH1A1HSD17B10HPGDCDC7
SCHEMBL4971293 0.80 FGFR1 (0.55) ALDH1A1HPGDFGFR1NCOA1NPSR1
SCHEMBL3893539 0.80 ALDH1A1 (0.52) DHODHALDH1A1HSD17B10HPGDCDC7

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-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
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 DHODH 327/4885ALDH1A1 100/4885HSD17B10 683/4885

“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.