SCHEMBL9975463

SCHEMBL9975463

Cc1ccc(C)c(Cc2ccc(-c3cccc(O)c3)s2)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 15/20 0.51
HSD17B2 P37059 14/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C19 P33261 1/20 0.51
ESR1 P03372 1/20 0.45
ESRRG P62508 1/20 0.45
ESR2 Q92731 1/20 0.45
SLC5A2 P31639 3/20 0.43
ABCB11 O95342 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
SLC5A1 P13866 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
HPGDS O60760 1/20 0.43

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 0.88 HSD17B1 (0.48) HSD17B1HSD17B2CYP3A4CYP2D6CYP2C19
SCHEMBL23221106 0.84 SLC5A2 (0.46) HSD17B1HSD17B2CYP3A4CYP2C19SLC5A2
SCHEMBL148121 0.80 MAPT (0.45) SLC5A2ABCB11ADORA3SLC5A1SLC6A4
SCHEMBL12714458 0.80 SLC5A2 (0.56) HSD17B1HSD17B2SLC5A2ABCB11ADORA3
SCHEMBL22132986 0.80 SLC5A2 (0.43) HSD17B1HSD17B2CYP3A4CYP2C19SLC5A2
SCHEMBL156898 0.79 SLC5A2 (0.41) HSD17B1HSD17B2CYP3A4CYP2D6CYP2C19
SCHEMBL146761 0.78 SLC5A2 (0.40) HSD17B1HSD17B2CYP3A4CYP2D6CYP2C19
SCHEMBL22510538 0.77 SLC5A2 (0.44) HSD17B1HSD17B2CYP3A4CYP2D6CYP2C19
SCHEMBL8591760 0.77 SLC5A2 (0.57) HSD17B1HSD17B2CYP3A4CYP2D6CYP2C19
SCHEMBL147317 0.77 SLC5A2 (0.46) HSD17B1HSD17B2SLC5A2ABCB11ADORA3

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-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-7943788-B2 Including the antidiabetic, antiobesity sodium glucose transport inhibitor Canagliflozin (1-( beta -D-glucopyranosyl)-4-methyl-3-[5-(4-fluorophenyl)-2-thienylmethyl]benzene) MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-05-17 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 195/4885CYP3A4 163/4885
US-20120258913-A1 GLUCOPYRANOSIDE COMPOUND UGGT1, B3GAT3, FUT6 HSD17B1 268/4885HSD17B2 195/4885CYP3A4 163/4885

“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.