SCHEMBL2452535

SCHEMBL2452535

C[C@@]12CCC[C@H]1[C@@H]1CCc3c[c]ccc3[C@H]1CC2

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 4/20 0.64
STS P08842 5/20 0.55
HSD17B1 P14061 2/20 0.43
ESR1 P03372 7/20 0.39
ESR2 Q92731 5/20 0.39
HSD17B10 Q99714 4/20 0.39
LMNA P02545 4/20 0.39
PGR P06401 3/20 0.39
SERPINA6 P08185 3/20 0.39
AR P10275 3/20 0.39
SLC6A4 P31645 3/20 0.39
SNCA P37840 3/20 0.39
SLC6A3 Q01959 3/20 0.39
HIF1A Q16665 3/20 0.39
AKR1B10 O60218 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
MAPT P10636 2/20 0.39
AKR1B1 P15121 2/20 0.39
HTR2B P41595 2/20 0.39

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
SCHEMBL1257193 0.96 SHBG (0.59) SHBGSTSHSD17B1ESR1ESR2
SCHEMBL6266816 0.81 SHBG (0.43) SHBGSTSHSD17B1ESR1ESR2
SCHEMBL13725675 0.81 SHBG (0.70) SHBGSTSHSD17B1ESR1ESR2
SCHEMBL975788 0.81 SHBG (0.70) SHBGSTSHSD17B1ESR1ESR2
SCHEMBL30887214 0.81 SHBG (0.70) SHBGSTSHSD17B1ESR1ESR2
SCHEMBL29446097 0.81 SHBG (0.70) SHBGSTSHSD17B1ESR1ESR2
SCHEMBL11096655 0.81 SHBG (0.70) SHBGSTSHSD17B1ESR1ESR2
SCHEMBL8710195 0.80 STS (0.47) SHBGSTSHSD17B1ESR1ESR2
SCHEMBL7165568 0.79 STS (0.65) SHBGSTSHSD17B1ESR1ESR2
SCHEMBL21356582 0.79 STS (0.65) SHBGSTSHSD17B1ESR1ESR2

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 20 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
EP-1599493-A1 2-SUBSTITUTED ESTRA-1,3,5(10)-TRIENE-3-YL SULFAMATE WITH AN ANTI-TUMOUR ACTION Schering Aktiengesellschaft (DE) 2005-11-30 EP claimed
WO-2004074307-A1 2-SUBSTITUTED ESTRA-1,3,5(10)-TRIENE-3-YL SULFAMATE WITH AN ANTI-TUMOUR ACTION SCHERING AKTIENGESELLSCHAFT (DE) 2004-09-02 WO claimed
US-8026229-B2 Inhibiting tubulin polymerization; treating prostate and breast cancer STERIX LIMITED (GB) 2011-09-27 US disclosed
EP-1599493-B1 2-SUBSTITUTED ESTRA-1,3,5(10)-TRIENE-3-YL SULFAMATE WITH AN ANTI-TUMOUR ACTION STERIX LTD (GB) 2010-11-24 EP disclosed
EP-1599493-B1 2-SUBSTITUTED ESTRA-1,3,5(10)-TRIENE-3-YL SULFAMATE WITH AN ANTI-TUMOUR ACTION STERIX LTD (GB) 2010-11-24 EP disclosed
EP-1418921-B1 ANTI-TUMOUR 2-ALKOXYESTRADIOL SULFAMATES STERIX LTD (GB) 2007-10-03 EP disclosed
US-7067683-B2 Industrially applicable process for the sulfamoylation of alcohols and phenols SCHERING AG (DE) 2006-06-27 US disclosed
EP-1456224-B1 INDUSTRIALLY APPLICABLE PROCESS FOR THE SULFAMOYLATION OF ALCOHOLS AND PHENOLS SCHERING AG (DE) 2006-02-08 EP disclosed
EP-1599493-A1 2-SUBSTITUTED ESTRA-1,3,5(10)-TRIENE-3-YL SULFAMATE WITH AN ANTI-TUMOUR ACTION Schering Aktiengesellschaft (DE) 2005-11-30 EP disclosed
EP-1456224-A2 INDUSTRIALLY APPLICABLE PROCESS FOR THE SULFAMOYLATION OF ALCOHOLS AND PHENOLS Schering Aktiengesellschaft (DE) 2004-09-15 EP disclosed
WO-2004074307-A1 2-SUBSTITUTED ESTRA-1,3,5(10)-TRIENE-3-YL SULFAMATE WITH AN ANTI-TUMOUR ACTION SCHERING AKTIENGESELLSCHAFT (DE) 2004-09-02 WO disclosed
EP-1418921-A1 ANTI-TUMOUR 2-ALKOXYESTRADIOL SULFAMATES Schering AG (DE) 2004-05-19 EP disclosed
US-20030171346-A1 Industrially applicable process for the sulfamoylation of alcohols and phenols SCHERING AG (DE) 2003-09-11 US disclosed
WO-2003053992-A2 INDUSTRIALLY APPLICABLE PROCESS FOR THE SULFAMOYLATION OF ALCOHOLS AND PHENOLS SCHERING AKTIENGESELLSCHAFT (DE) 2003-07-03 WO disclosed
US-6583130-B1 Substituted with acyl, oxycarbonyl, aminocarbonyl, sulfonyl, or aminosulfonyl; inhibit steroid sulfatase, do not exhibit any estrogenic effect and will not yield any estrogenic products on hydrolysis; treatment of estrogen-dependent tumors SCHERING AG (DE) 2003-06-24 US disclosed
US-6583130-B1 Substituted with acyl, oxycarbonyl, aminocarbonyl, sulfonyl, or aminosulfonyl; inhibit steroid sulfatase, do not exhibit any estrogenic effect and will not yield any estrogenic products on hydrolysis; treatment of estrogen-dependent tumors SCHERING AG (DE) 2003-06-24 US disclosed
US-6583130-B1 Substituted with acyl, oxycarbonyl, aminocarbonyl, sulfonyl, or aminosulfonyl; inhibit steroid sulfatase, do not exhibit any estrogenic effect and will not yield any estrogenic products on hydrolysis; treatment of estrogen-dependent tumors SCHERING AG (DE) 2003-06-24 US disclosed
US-20030100544-A1 Inhibiting tubulin polymerization; treating prostate and breast cancer SCHERING AG (DE) 2003-05-29 US disclosed
WO-2003015792-A1 ANTI-TUMOUR 2-ALKOXYESTRADIOL SULFAMATES SCHERING AG (DE) 2003-02-27 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 (3 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-20030171346-A1 Industrially applicable process for the sulfamoylation of alcohols and phenols HSD17B11, ADH1C, ADH1A SHBG 57/4885STS 5/4885HSD17B1 13/4885
US-20030100544-A1 Inhibiting tubulin polymerization; treating prostate and breast cancer TUBA1C, TUBB1, NR5A1 SHBG 60/4885STS 399/4885HSD17B1 27/4885
US-20090221841-A1 2-SUBSTITUTED ESTRA-1,3,5(10)-TRIENE-3-YL SULFAMATE WITH AN ANTI-TUMOUR ACTION SULT1E1, SULT1A1, SULT2A1 SHBG 14/4885STS 5/4885HSD17B1 45/4885

“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.