SCHEMBL12998232

SCHEMBL12998232

NS(=O)(=O)Oc1ccc2c3c(c(=O)[nH]c2c1)CCCCCCC3

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
STS P08842 17/20 0.58
CA2 P00918 2/20 0.58
CA12 O43570 1/20 0.58
CA1 P00915 1/20 0.58
CYP19A1 P11511 1/20 0.58
CA4 P22748 1/20 0.58
CA6 P23280 1/20 0.58
CA5A P35218 1/20 0.58
CA7 P43166 1/20 0.58
CA9 Q16790 1/20 0.58
HDAC6 Q9UBN7 1/20 0.58
CA14 Q9ULX7 1/20 0.58
CA5B Q9Y2D0 1/20 0.58
PARP1 P09874 3/20 0.42

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
SCHEMBL12998221 1.00 STS (0.58) STSCA2CA12CA1CYP19A1
SCHEMBL12998231 1.00 STS (0.58) STSCA2CA12CA1CYP19A1
SCHEMBL12998216 0.99 STS (0.57) STSCA2CA12CA1CYP19A1
SCHEMBL12998214 0.96 STS (0.57) STSCA2CA12CA1CYP19A1
SCHEMBL12998219 0.82 STS (0.48) STSCA2CA12CA1CYP19A1
SCHEMBL12998223 0.82 STS (0.53) STSCA2CA12CA1CYP19A1
SCHEMBL6648775 0.76 PARP1 (0.58) PARP1
SCHEMBL12998220 0.76 STS (0.40) STSCA2CA12CA1CYP19A1
SCHEMBL12998218 0.75 PARP1 (0.50) STSCA2CA1CA9PARP1
SCHEMBL12998207 0.75 STS (0.45) STSCA2CA12CA1CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7846965-B2 a non-steroidal sulphamate compound such as 6-Oxo-8,9,10,11-tetrahydro-7H-cyclohepta-[c][1]benzopyran-3-O-sulphamate, suitable for use as an inhibitor of estrone sulphatase, for the treatment of endocrine-dependent cancers and tumors, such as the breast and endometrium STERIX LIMITED (GB) 2010-12-07 US disclosed
US-20070173531-A1 Compound REED MICHAEL J 2007-07-26 US disclosed
US-20070173531-A1 Compound REED MICHAEL J 2007-07-26 US disclosed
US-7202272-B2 Compound STERIX, LTD. (GB) 2007-04-10 US disclosed
US-7202272-B2 Compound STERIX, LTD. (GB) 2007-04-10 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-20070173531-A1 Compound HSD17B11, NR5A1, CYP17A1 STS 9/4885CA2 796/4885CA12 864/4885

“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.