SCHEMBL4216786

SCHEMBL4216786

COc1cc2c(cc1OS(N)(=O)=O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](F)CC[C@@H]12

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STS P08842 13/20 0.79
CA2 P00918 6/20 0.79
CA9 Q16790 5/20 0.79
CA1 P00915 1/20 0.56
CYP1A2 P05177 2/20 0.56
CYP3A4 P08684 2/20 0.56
HSD17B10 Q99714 2/20 0.56
CYP1A1 P04798 2/20 0.56
CYP1B1 Q16678 2/20 0.56
TP53 P04637 1/20 0.56
TSHR P16473 1/20 0.56
NFKB1 P19838 1/20 0.56
CYP2C19 P33261 1/20 0.56
THPO P40225 1/20 0.56
MEN1 O00255 1/20 0.56
GMNN O75496 1/20 0.56
LMNA P02545 1/20 0.56
SHBG P04278 1/20 0.56
GAA P10253 1/20 0.56
MAPT P10636 1/20 0.56

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
SCHEMBL4201987 1.00 STS (0.79) STSCA2CA9CA1CYP1A2
SCHEMBL4216787 1.00 STS (0.79) STSCA2CA9CA1CYP1A2
SCHEMBL4201982 1.00 STS (0.79) STSCA2CA9CA1CYP1A2
SCHEMBL1258427 0.95 STS (0.75) STSCA2CA9
SCHEMBL14070736 0.89 STS (0.80) STSCA2CA9CA1CYP1A2
SCHEMBL4212438 0.89 STS (0.80) STSCA2CA9CA1CYP1A2
SCHEMBL4212435 0.89 STS (0.80) STSCA2CA9CA1CYP1A2
SCHEMBL14549386 0.88 STS (1.00) STSCA2CA9CA1CYP1A2
SCHEMBL10071070 0.88 STS (1.00) STSCA2CA9CA1CYP1A2
SCHEMBL2451744 0.88 STS (1.00) STSCA2CA9CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090221841-A1 2-SUBSTITUTED ESTRA-1,3,5(10)-TRIENE-3-YL SULFAMATE WITH AN ANTI-TUMOUR ACTION STERIX LIMITED (GB) 2009-09-03 US claimed
US-7427610-B2 2-substituted estra-1,3,5(10)-triene-3-yl sulfamate with an anti-tumour action STERIX LIMITED (GB) 2008-09-23 US claimed
US-8492570-B2 2-substituted estra-1,3,5(10)-triene-3-yl sulfamate with an anti-tumor action STERIX LIMITED (GB) 2013-07-23 US disclosed
US-20090221841-A1 2-SUBSTITUTED ESTRA-1,3,5(10)-TRIENE-3-YL SULFAMATE WITH AN ANTI-TUMOUR ACTION STERIX LIMITED (GB) 2009-09-03 US disclosed
US-7427610-B2 2-substituted estra-1,3,5(10)-triene-3-yl sulfamate with an anti-tumour action STERIX LIMITED (GB) 2008-09-23 US disclosed
US-20060160782-A1 2-Substituted estra-1,3,5(10)-triene-3-yl sulfamate with an anti-tumour action STERIX LIMITED (GB) 2006-07-20 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-20060160782-A1 2-Substituted estra-1,3,5(10)-triene-3-yl sulfamate with an anti-tumour action SULT1E1, SULT1A1, SULT2A1 STS 5/4885CA2 812/4885CA9 816/4885
US-20090221841-A1 2-SUBSTITUTED ESTRA-1,3,5(10)-TRIENE-3-YL SULFAMATE WITH AN ANTI-TUMOUR ACTION SULT1E1, SULT1A1, SULT2A1 STS 5/4885CA2 805/4885CA9 769/4885

“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.