SCHEMBL6502690

SCHEMBL6502690

CCOC(=O)c1sc(O)nc1-c1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.73
HSD17B10 Q99714 1/20 0.73
HPGD P15428 1/20 0.70
DHODH Q02127 11/20 0.67
CDC7 O00311 3/20 0.67
DBF4 Q9UBU7 3/20 0.67
MEN1 O00255 2/20 0.67
KMT2A Q03164 2/20 0.67
CYP1A2 P05177 1/20 0.67
CYP2C9 P11712 1/20 0.67
CYP2C19 P33261 1/20 0.67
TRPM8 Q7Z2W7 1/20 0.63
GSTO1 P78417 1/20 0.61
KDM4E B2RXH2 1/20 0.57
ADORA2A P29274 1/20 0.57
ADORA1 P30542 1/20 0.57
PPARG P37231 1/20 0.57
NCOA2 Q15596 1/20 0.57
NCOA1 Q15788 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57

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
SCHEMBL8823153 0.87 ALDH1A1 (0.75) ALDH1A1HSD17B10HPGDDHODHCDC7
SCHEMBL4503056 0.86 CDC7 (0.88) ALDH1A1HSD17B10HPGDDHODHCDC7
SCHEMBL1919084 0.86 ALDH1A1 (0.74) ALDH1A1HSD17B10HPGDDHODHCDC7
SCHEMBL9092721 0.84 ALDH1A1 (0.71) ALDH1A1HSD17B10HPGDDHODHCDC7
SCHEMBL1561049 0.84 ALDH1A1 (0.71) ALDH1A1HSD17B10HPGDDHODHCDC7
SCHEMBL3893108 0.84 ALDH1A1 (0.71) ALDH1A1HSD17B10HPGDDHODHCDC7
SCHEMBL330552 0.84 ALDH1A1 (1.00) ALDH1A1HSD17B10HPGDDHODHCDC7
SCHEMBL11286051 0.83 ALDH1A1 (0.70) ALDH1A1HSD17B10HPGDDHODHCDC7
SCHEMBL12591896 0.82 ALDH1A1 (0.68) ALDH1A1HSD17B10HPGDDHODHCDC7
SCHEMBL28721843 0.82 DHODH (0.77) ALDH1A1HSD17B10HPGDDHODHCDC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050014765-A1 Aryl-heteroaromatic products, compositions comprising them and use AVENTIS PHARMA S.A. (FR) 2005-01-20 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-20050014765-A1 Aryl-heteroaromatic products, compositions comprising them and use AHR, ARNT, MYC ALDH1A1 240/4885HSD17B10 979/4885HPGD 664/4885

“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.