SCHEMBL5531382

SCHEMBL5531382

CC(=O)NS(=O)(=O)Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STS P08842 10/20 0.75
ABCC4 O15439 1/20 0.75
CYP2C9 P11712 1/20 0.75
ABCC1 P33527 1/20 0.75
SLCO1B1 Q9Y6L6 1/20 0.75
CA1 P00915 3/20 0.72
CA2 P00918 3/20 0.72
CA9 Q16790 3/20 0.72
KDM4E B2RXH2 2/20 0.72
ESR1 P03372 2/20 0.72
ESR2 Q92731 2/20 0.72
CA4 P22748 1/20 0.72
CA6 P23280 1/20 0.72
CYP3A4 P08684 3/20 0.69
HSD17B1 P14061 3/20 0.68
LMNA P02545 2/20 0.68
MAPT P10636 2/20 0.68
RECQL P46063 1/20 0.68
SMN1; SMN2 Q16637 1/20 0.68
ALDH1A1 P00352 1/20 0.66

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
SCHEMBL8622302 1.00 STS (0.75) STSABCC4CYP2C9ABCC1SLCO1B1
SCHEMBL8214105 0.88 STS (0.77) STSABCC4CYP2C9ABCC1SLCO1B1
SCHEMBL6140924 0.88 STS (0.77) STSABCC4CYP2C9ABCC1SLCO1B1
SCHEMBL10031986 0.87 STS (0.79) STSABCC4CYP2C9ABCC1SLCO1B1
SCHEMBL1784724 0.86 STS (0.78) STSABCC4CYP2C9ABCC1SLCO1B1
Estrone Sulfuric Acid SCHEMBL12920398 0.86 STS (1.00) STSABCC4CYP2C9ABCC1SLCO1B1
Estrone Sulfuric Acid SCHEMBL29369653 0.86 STS (1.00) STSABCC4CYP2C9ABCC1SLCO1B1
Estrone Sulfuric Acid SCHEMBL22846 0.86 STS (1.00) STSABCC4CYP2C9ABCC1SLCO1B1
Estrone Sulfuric Acid SCHEMBL14375453 0.86 STS (1.00) STSABCC4CYP2C9ABCC1SLCO1B1
Estrone Sulfuric Acid SCHEMBL6530673 0.86 STS (1.00) STSABCC4CYP2C9ABCC1SLCO1B1

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-20070275935-A1 Estratriene Derivatives CRYPTOPHARMA PTY LTD (AU) 2007-11-29 US disclosed
EP-1625143-A1 ESTRATRIENE DERIVATIVES Cryptopharma Pty Ltd (AU) 2006-02-15 EP disclosed
WO-2004101595-A1 ESTRATRIENE DERIVATIVES CRYPTOPHARMA PTY LTD (AU) 2004-11-25 WO disclosed
EP-1169336-A1 ENT-STEROIDS AS SELECTIVELY ACTIVE ESTROGENS Schering Aktiengesellschaft (DE) 2002-01-09 EP disclosed
WO-2000063228-A1 ENT-STEROIDS AS SELECTIVELY ACTIVE ESTROGENS SCHERING AKTIENGESELLSCHAFT (DE) 2000-10-26 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-20070275935-A1 Estratriene Derivatives ESR2, ESRRB, NR3C2 STS 844/4885ABCC4 3799/4885CYP2C9 1774/4885

“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.