SCHEMBL3477319

SCHEMBL3477319

CCCCC(=O)NS(=O)(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.46
FNTB P49356 1/20 0.46
HSP90AA1 P07900 1/20 0.45
CES1 P23141 2/20 0.44
CES2 O00748 1/20 0.44
EPHX2 P34913 1/20 0.44
FAAH O00519 4/20 0.43
CA1 P00915 2/20 0.42
CA12 O43570 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
CASP2 P42575 1/20 0.42
MAPT P10636 4/20 0.41
ALDH1A1 P00352 3/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
KDM4E B2RXH2 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PKM P14618 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL7180177 0.93 HSP90AA1 (0.54) FNTAFNTBHSP90AA1CES1CES2
SCHEMBL21060856 0.91 HSP90AA1 (0.57) HSP90AA1CES1CES2EPHX2FAAH
SCHEMBL28194397 0.91 HSP90AA1 (0.52) FNTAFNTBHSP90AA1CES1CES2
SCHEMBL7184916 0.91 HSP90AA1 (0.57) HSP90AA1CES1CES2EPHX2FAAH
SCHEMBL11649466 0.91 HSP90AA1 (0.57) HSP90AA1CES1CES2EPHX2FAAH
SCHEMBL7185340 0.91 HSP90AA1 (0.57) HSP90AA1CES1CES2EPHX2FAAH
SCHEMBL177558 0.86 HDAC3 (0.50) FNTAFNTBCES1CES2EPHX2
SCHEMBL8087887 0.84 HDAC3 (0.48) FNTAFNTBCES1CES2EPHX2
SCHEMBL7527834 0.84 HDAC3 (0.48) FNTAFNTBCES1CES2EPHX2
SCHEMBL7468860 0.82 HSP90AA1 (0.45) HSP90AA1CES1CES2EPHX2FAAH

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
EP-2176282-B1 8-BETA-SUBSTITUTED 16.ALPHA.-FLUORO-ESTRATRIENES AS SELECTIVELY ACTIVE ESTROGENS Bayer Pharma AG (DE) 2012-08-22 EP disclosed
EP-2176282-A2 8-BETA-SUBSTITUTED ESTRATRIENES AS SELECTIVELY ACTIVE ESTROGENS Bayer Schering Pharma Aktiengesellschaft (DE) 2010-04-21 EP disclosed
US-20090029957-A1 8-BETA-SUBSTITUTED ESTRATRIENES AS SELECTIVELY ACTIVE ESTROGENS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2009-01-29 US disclosed
WO-2009007454-A2 8-BETA-SUBSTITUTED ESTRATRIENES AS SELECTIVELY ACTIVE ESTROGENS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-01-15 WO disclosed
EP-2014672-A1 8-beta-substituted estratrienes as selectively active estrogens Bayer Schering Pharma Aktiengesellschaft (DE) 2009-01-14 EP disclosed
US-7414043-B2 9-α-substituted estratrienes as selectively active estrogens SCHERING AG (DE) 2008-08-19 US disclosed
US-20080182829-A1 8Beta-Hydrocarbyl-Substituted Estratrienes As Selectively Active Estrogens PETERS OLAF 2008-07-31 US disclosed
US-20080132476-A1 SUBSTITUTED ESTRATRIENES AS SELECTIVELY ACTIVE ESTROGENS KOSEMUND DIRK 2008-06-05 US disclosed
US-7378404-B2 8β-hydrocarbyl-substituted estratrienes for use as selective estrogens SCHERING AKTIENGESELLSCHAFT (DE) 2008-05-27 US disclosed
US-6958327-B1 18 Norsteroids as selectively active estrogens SCHERING, AG (DE) 2005-10-25 US disclosed
US-20050065135-A1 8beta-Vinyl-11beta-(omega-substituted)alkyl-estra-1,3,5(10)-trienes BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-03-24 US disclosed
US-20040087565-A1 9-alpha-substituted estratrienes as selectively active estrogens SCHERING AG (DE) 2004-05-06 US disclosed
US-20040029847-A1 8Beta-substituted-11-beta-pentyl-and 11-beta-hexyl-estra-1,3,5(10)-triene derivatives BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2004-02-12 US disclosed
US-20030176405-A1 8 Beta-hydrocarbyl-substituted estratrienes for use as selective estrogens BAYER INTELLECTUAL PROPERTY GMBH (DE) 2003-09-18 US disclosed
US-20030171345-A1 8Beta-substituted 11beta-aryl-estra-1,3,5,(10)-triene derivatives SCHERING AG (DE) 2003-09-11 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
EP-1169336-A1 ENT-STEROIDS AS SELECTIVELY ACTIVE ESTROGENS Schering Aktiengesellschaft (DE) 2002-01-09 EP disclosed
CN-1290642-A Packaging and forming method using photographic image EASTMAN KODAK CO (US) 2001-04-11 CN 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 (8 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-20080182829-A1 8Beta-Hydrocarbyl-Substituted Estratrienes As Selectively Active Estrogens ESR2, ESR1, ESRRA FNTA 2196/4885FNTB 1809/4885HSP90AA1 4362/4885
US-20080132476-A1 SUBSTITUTED ESTRATRIENES AS SELECTIVELY ACTIVE ESTROGENS ESRRA, ESR2, ESR1 FNTA 1589/4885FNTB 2007/4885HSP90AA1 4286/4885
US-20040029847-A1 8Beta-substituted-11-beta-pentyl-and 11-beta-hexyl-estra-1,3,5(10)-triene derivatives GPER1, ESRRA, ESR2 FNTA 1026/4885FNTB 1375/4885HSP90AA1 4259/4885
US-20050065135-A1 8beta-Vinyl-11beta-(omega-substituted)alkyl-estra-1,3,5(10)-trienes CYP19A1, HSD17B11, ESR2 FNTA 923/4885FNTB 1257/4885HSP90AA1 4000/4885
US-20090029957-A1 8-BETA-SUBSTITUTED ESTRATRIENES AS SELECTIVELY ACTIVE ESTROGENS ESR1, GPER1, ESR2 FNTA 877/4885FNTB 1531/4885HSP90AA1 3435/4885
US-20030171345-A1 8Beta-substituted 11beta-aryl-estra-1,3,5,(10)-triene derivatives CYP19A1, HSD17B11, GPER1 FNTA 1379/4885FNTB 2483/4885HSP90AA1 4385/4885
US-20030176405-A1 8 Beta-hydrocarbyl-substituted estratrienes for use as selective estrogens ESR2, ESRRA, ESRRB FNTA 1697/4885FNTB 1682/4885HSP90AA1 4410/4885
US-20040087565-A1 9-alpha-substituted estratrienes as selectively active estrogens ESRRA, ESR2, HSD17B11 FNTA 1003/4885FNTB 1292/4885HSP90AA1 4187/4885

“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.