SCHEMBL3370188

SCHEMBL3370188

CCN(CC)S(=O)(=O)Oc1ccc2c(c1)CCC1C2CC[C@@]2(C)C1C[C@@H](O)[C@@H]2O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.63
MAPT P10636 1/20 0.63
MAPK1 P28482 1/20 0.63
ESR1 P03372 4/20 0.62
LMNA P02545 3/20 0.62
ESR2 Q92731 2/20 0.62
CYP2C9 P11712 2/20 0.62
PGR P06401 2/20 0.62
AR P10275 2/20 0.62
SLC6A3 Q01959 2/20 0.62
CYP2C19 P33261 1/20 0.62
HIF1A Q16665 1/20 0.62
NR3C1 P04150 1/20 0.62
SHBG P04278 1/20 0.62
SERPINA6 P08185 1/20 0.62
PTGS1 P23219 1/20 0.62
SLC6A4 P31645 1/20 0.62
SNCA P37840 1/20 0.62
OR51E2 Q9H255 1/20 0.62
UGT1A10 Q9HAW8 1/20 0.62

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
SCHEMBL6364269 1.00 USP2 (0.63) USP2MAPTMAPK1ESR1LMNA
SCHEMBL3369399 0.90 ESR1 (0.66) USP2MAPTMAPK1ESR1LMNA
SCHEMBL6369302 0.90 ESR1 (0.66) USP2MAPTMAPK1ESR1LMNA
SCHEMBL4395104 0.88 ABCC4 (0.75) MAPTESR1LMNAESR2CYP2C9
SCHEMBL6364171 0.88 ABCC4 (0.75) MAPTESR1LMNAESR2CYP2C9
SCHEMBL2517551 0.86 ABCC4 (0.76) USP2MAPTMAPK1ESR1LMNA
SCHEMBL5521870 0.86 ABCC4 (0.76) USP2MAPTMAPK1ESR1LMNA
SCHEMBL6440061 0.85 KDM4E (0.76) USP2MAPTMAPK1ESR1LMNA
SCHEMBL6369320 0.85 STS (0.76) USP2MAPTMAPK1ESR1LMNA
SCHEMBL345571 0.85 STS (0.76) USP2MAPTMAPK1ESR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0775156-B1 PHARMACEUTICAL COMPOSITIONS CONTAINING ESTRA-1,3,5(10)-TRIENE DERIVATIVES JENAPHARM GMBH (DE) 2003-09-03 EP claimed
US-20020061868-A1 Pharmaceutical preparations containing estra-1,3,5(10)-triene derivatives STERIX LIMITED (GB) 2002-05-23 US claimed
EP-1284273-B1 Estra-1,3,5(10)-trien-3-sulfamates a process for their production and pharmaceutical compositions containing them STERIX LTD (GB) 2010-09-29 EP disclosed
US-6841548-B2 Pharmaceutical preparations containing estra-1,3,5(10)-triene derivatives SCHERING AG (DE) 2005-01-11 US disclosed
EP-0775156-B1 PHARMACEUTICAL COMPOSITIONS CONTAINING ESTRA-1,3,5(10)-TRIENE DERIVATIVES JENAPHARM GMBH (DE) 2003-09-03 EP disclosed
US-6569844-B1 Hormonal contraception and hormon replacement therapy with low hepatic estrogenity JENAPHARM GMBH & CO., KG (DE) 2003-05-27 US disclosed
EP-1284273-A2 Estra-1,3,5(10)-trien-3-sulfamates a process for their production and pharmaceutical compositions containing them JENAPHARM GmbH (DE) 2003-02-19 EP 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 USP2 1384/4885MAPT 4288/4885MAPK1 2009/4885

“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.