SCHEMBL9975462

SCHEMBL9975462

Cc1ccc(Cl)c(Cc2ccc(-c3ccc(O)cc3)s2)c1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 5/20 0.46
HSD17B2 P37059 4/20 0.46
APP P05067 6/20 0.42
ESR1 P03372 4/20 0.42
ESR2 Q92731 4/20 0.42
SLC5A2 P31639 4/20 0.40
SLC5A1 P13866 1/20 0.40
ESRRG P62508 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
SCHEMBL9975499 0.86 HSD17B1 (0.48) HSD17B1HSD17B2APPESR1ESR2
SCHEMBL14278458 0.86 CYP2A6 (0.45) HSD17B1HSD17B2SLC5A2SLC5A1
SCHEMBL146792 0.84 APP (0.42) HSD17B1HSD17B2APPSLC5A2SLC5A1
SCHEMBL148158 0.83 CYP2A6 (0.37) HSD17B1HSD17B2SLC5A2SLC5A1
SCHEMBL147405 0.82 RORC (0.42) HSD17B1HSD17B2SLC5A2SLC5A1
SCHEMBL148014 0.82 SLC5A2 (0.41) HSD17B1HSD17B2SLC5A2SLC5A1
SCHEMBL144713 0.82 SLC5A2 (0.41) HSD17B1HSD17B2SLC5A2SLC5A1
SCHEMBL147396 0.81 APP (0.49) APP
SCHEMBL156337 0.81 SLC5A2 (0.40) SLC5A2SLC5A1
SCHEMBL147481 0.81 SLC5A2 (0.40) HSD17B1HSD17B2SLC5A2SLC5A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120258913-A1 GLUCOPYRANOSIDE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-10-11 US disclosed
US-8202984-B2 Glucopyranoside compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-06-19 US disclosed
US-20110105424-A1 GLUCOPYRANOSIDE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-05-05 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-20110105424-A1 GLUCOPYRANOSIDE COMPOUND UGGT1, B3GAT3, FUT6 HSD17B1 268/4885HSD17B2 195/4885APP 2684/4885
US-20120258913-A1 GLUCOPYRANOSIDE COMPOUND UGGT1, B3GAT3, FUT6 HSD17B1 268/4885HSD17B2 195/4885APP 2684/4885

“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.