SCHEMBL4383818

SCHEMBL4383818

CCc1c(O)cc(O)c(-c2cccc(NS(C)(=O)=O)c2)c1CCOCC(O)CO

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 2/20 0.39
HSD17B2 P37059 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSP90AA1 P07900 4/20 0.38
BRD4 O60885 1/20 0.38
HSP90B1 P14625 2/20 0.36
TRAP1 Q12931 2/20 0.36
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
ADRB3 P13945 1/20 0.34
KIF11 P52732 1/20 0.34
POLB P06746 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ALOX15 P16050 1/20 0.34

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
SCHEMBL4381092 0.88 HSP90AA1 (0.45) HSD17B1HSD17B2HSP90AA1ADRB2ADRB1
SCHEMBL4379845 0.86 HSD17B1 (0.38) HSD17B1HSD17B2CYP1A2ADRB2ADRB1
SCHEMBL4386295 0.83 CDK8 (0.39) ADRB2ADRB1ADRB3
SCHEMBL4387012 0.83 ESR1 (0.39) HSD17B1HSD17B2CYP1A2CYP3A4CYP2D6
SCHEMBL4385929 0.83 KCNK3 (0.42) POLBALDH1A1
SCHEMBL4387649 0.82 ALDH1A1 (0.34) ALDH1A1
SCHEMBL4392407 0.81 CYP1A2 (0.36) CYP1A2POLB
SCHEMBL4382721 0.81 USP7 (0.36) HSD17B1HSD17B2CYP1A2CYP3A4CYP2D6
SCHEMBL4388631 0.80 TSHR (0.46) CYP1A2
SCHEMBL4388418 0.79 TSHR (0.40) CYP1A2BRD4ADRB2ADRB1ADRB3

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-7538241-B2 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-05-26 US disclosed
US-20070155813-A1 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-07-05 US disclosed
EP-1704856-A1 HSP90 FAMILY PROTEIN INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-09-27 EP 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-20070155813-A1 Hsp90 family protein inhibitors HSP90AB1, HEATR1, HSP90AB2P HSD17B1 682/4885HSD17B2 935/4885CYP1A2 1290/4885

“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.