SCHEMBL5657110

SCHEMBL5657110

CC12CCC3c4ccc(OS(N)(=O)=O)cc4CCC3C1CC(C#N)C2=O

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 1/20 0.71
STS P08842 18/20 0.68
CA1 P00915 2/20 0.68
CA2 P00918 2/20 0.68
CA9 Q16790 2/20 0.68
ESR1 P03372 1/20 0.68
CA4 P22748 1/20 0.68
CA6 P23280 1/20 0.68
ESR2 Q92731 1/20 0.68
ABCC4 O15439 1/20 0.55
CYP2C9 P11712 1/20 0.55
ABCC1 P33527 1/20 0.55
SLCO1B1 Q9Y6L6 1/20 0.55
KDM4E B2RXH2 1/20 0.55

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
SCHEMBL12379776 1.00 HSD17B1 (0.71) HSD17B1STSCA1CA2CA9
SCHEMBL5168726 0.85 STS (0.71) STSCA1CA2CA9ESR1
SCHEMBL12379779 0.84 STS (0.69) HSD17B1STSCA2CA9
SCHEMBL5664255 0.84 STS (0.69) HSD17B1STSCA2CA9
SCHEMBL12379708 0.84 HSD17B1 (0.66) HSD17B1STSCA1CA2CA9
SCHEMBL12379704 0.83 HSD17B1 (1.00) HSD17B1STSESR1ESR2CYP2C9
SCHEMBL1977371 0.83 HSD17B1 (1.00) HSD17B1STSESR1ESR2CYP2C9
SCHEMBL5658818 0.83 HSD17B1 (1.00) HSD17B1STSESR1ESR2CYP2C9
SCHEMBL12379702 0.83 HSD17B1 (0.67) HSD17B1STSCA1CA2CA9
Emate SCHEMBL6370815 0.81 STS (1.00) HSD17B1STSCA1CA2CA9

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-20060074060-A1 Compound STERIX LIMITED (GB) 2006-04-06 US disclosed
EP-1631579-A2 17BETA-HYDROXYSTEROID DEHYDROGENASE INHIBITORS Sterix Limited (GB) 2006-03-08 EP disclosed
WO-2004085457-A2 17BETA-HYDROXYSTEROID DEHYDROGENASE INHIBITORS STERIX LIMITED (GB) 2004-10-07 WO 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-20060074060-A1 Compound HAT1, CBR3, ADH5 HSD17B1 687/4885STS 323/4885CA1 1223/4885

“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.