SCHEMBL6369692

SCHEMBL6369692

CCN(CC)S(=O)(=O)Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@]13CC[C@@]2(O)[C@H](O)C3

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC4 O15439 3/20 0.44
ABCC1 P33527 2/20 0.44
STS P08842 11/20 0.44
KDM4E B2RXH2 2/20 0.44
CYP2C9 P11712 1/20 0.43
SLCO1B1 Q9Y6L6 1/20 0.43
ESR1 P03372 2/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA9 Q16790 1/20 0.41
ESR2 Q92731 1/20 0.41
LMNA P02545 3/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP3A4 P08684 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 1/20 0.39
HSD17B1 P14061 1/20 0.39
RECQL P46063 1/20 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
SCHEMBL6364558 1.00 ABCC4 (0.44) ABCC4ABCC1STSKDM4ECYP2C9
SCHEMBL8214206 0.86 STS (0.59) ABCC4ABCC1STSKDM4EESR1
SCHEMBL6861299 0.86 STS (0.59) ABCC4ABCC1STSKDM4EESR1
SCHEMBL9148144 0.85 LMNA (0.55) ABCC4ABCC1STSKDM4ECYP2C9
SCHEMBL8959370 0.85 LMNA (0.55) ABCC4ABCC1STSKDM4ECYP2C9
SCHEMBL8959377 0.85 LMNA (0.55) ABCC4ABCC1STSKDM4ECYP2C9
SCHEMBL8959345 0.82 LMNA (0.58) ABCC4ABCC1STSKDM4ECYP2C9
SCHEMBL9144814 0.82 LMNA (0.58) ABCC4ABCC1STSKDM4ECYP2C9
SCHEMBL6364943 0.80 STS (0.44) ABCC4ABCC1STSKDM4ECYP2C9
SCHEMBL6364938 0.80 STS (0.44) ABCC4ABCC1STSKDM4ECYP2C9

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-6841548-B2 Pharmaceutical preparations containing estra-1,3,5(10)-triene derivatives SCHERING AG (DE) 2005-01-11 US disclosed
US-20020061868-A1 Pharmaceutical preparations containing estra-1,3,5(10)-triene derivatives STERIX LIMITED (GB) 2002-05-23 US disclosed
US-6080735-A SUITABLE FOR HORMONAL CONTRACEPTION AND CLIMACTERIC HORMONE REPLACEMENT THERAPY (HRT) AS WELL AS FOR TREATMENT OF GYNECOLOGICAL AND ANDROLOGICAL DISEASES JENAPHARM GMBH & CO. KG (DE) 2000-06-27 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-20020061868-A1 Pharmaceutical preparations containing estra-1,3,5(10)-triene derivatives ESRRA, ESR2, CYP19A1 ABCC4 2078/4885ABCC1 819/4885STS 124/4885

“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.