SCHEMBL4097938

SCHEMBL4097938

O=S(=O)(O)ON1CCNCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
CYP3A4 P08684 1/20 0.39
GABRA1 P14867 1/20 0.39
TSHR P16473 1/20 0.39
GABRG2 P18507 1/20 0.39
NFKB1 P19838 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRA6 Q16445 1/20 0.39
KDM4E B2RXH2 1/20 0.37
CA2 P00918 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA9 Q16790 1/20 0.33
CHKA P35790 1/20 0.32
CHRNB2 P17787 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31

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
SCHEMBL27782853 0.86 LMNA (0.32) LMNACYP3A4GABRA1TSHRGABRG2
SCHEMBL28906292 0.81 LMNA (0.33) LMNACYP3A4GABRA1TSHRGABRG2
SCHEMBL27272 0.81 KDM4E (0.37) LMNACYP3A4GABRA1TSHRGABRG2
SCHEMBL1684239 0.76 KDM4E (0.37) LMNACYP3A4GABRA1TSHRGABRG2
SCHEMBL1499965 0.75 CA2 (0.36) TSHRKDM4ECA2CA1
SCHEMBL28134578 0.74 KDM4E (0.35) KDM4E
SCHEMBL29655023 0.74 LMNA (0.34) LMNACYP3A4GABRA1TSHRGABRG2
SCHEMBL28473411 0.73 KDM4E (0.34) KDM4E
SCHEMBL7998472 0.73 KDM4E (0.34) KDM4E
SCHEMBL28535571 0.73 KDM4E (0.34) LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120220558-A1 Methods of Treating Hormone-Related Conditions Using Thio-Oxindole Derivatives WYETH LLC (US) 2012-08-30 US disclosed
US-8242098-B2 Methods of treating hormone-related conditions using thio-oxindole derivatives WYETH LLC (US) 2012-08-14 US disclosed
US-20090099223-A1 METHODS OF TREATING HORMONE-RELATED CONDITIONS USING THIO-OXINDOLE DERIVATIVES WYETH (US) 2009-04-16 US disclosed
US-7488734-B2 Methods of treating hormone-related conditions using thio-oxindole derivatives WYETH (US) 2009-02-10 US disclosed
US-20090005351-A1 Hormone replacement therapy WYETH 2009-01-01 US disclosed
US-20080152699-A1 Method of treating menopausal women transdermally with testosterone THE PROCTER & GAMBLE COMPANY 2008-06-26 US disclosed
US-7354915-B2 6-amino-1,4-dihydro-benzo[d][1,3]oxazin-2-ones and analogs useful as progesterone receptor modulators WYETH (US) 2008-04-08 US disclosed
US-20080015170-A1 Method of treating menopausal women transdermally with testosterone THE PROCTER & GAMBLE COMPANY (US) 2008-01-17 US disclosed
EP-1857110-A2 Hormone replacement therapy Wyeth (US) 2007-11-21 EP disclosed
US-20070225281-A1 6-Amino-1,4-dihydro-benzo[d][1,3]oxazin-2-ones and analogs useful as progesterone receptor modulators WYETH (US) 2007-09-27 US disclosed
US-20040014798-A1 Cyclothiocarbamate derivatives as progesterone receptor modulators and methods of treating skin disorders WYETH 2004-01-22 US disclosed
US-20040006060-A1 Methods of treating hormone-related conditions using cyclothiocarbamate derivatives WYETH 2004-01-08 US disclosed
US-20040006122-A1 Methods of treating skin disorders using thio-oxindole derivatives WYETH 2004-01-08 US disclosed
US-20040002535-A1 Methods of treating hormone-related conditions using thio-oxindole derivatives WYETH (US) 2004-01-01 US disclosed
WO-2004000801-A2 USE OF CYCLOTHIOCARBAMATE DERIVATIVES IN TREATMENT OF HORMONE-RELATED CONDITIONS WYETH (US) 2003-12-31 WO disclosed
WO-2004000227-A2 USE OF THIO-OXINDOLE DERIVATIVES IN TREATMENT OF SKIN DISORDERS WYETH (US) 2003-12-31 WO disclosed
WO-2004000225-A2 USE OF THIO-OXINDOLE DERIVATIVES IN TREATMENT OF HORMONE-RELATED CONDITIONS WYETH (US) 2003-12-31 WO disclosed
WO-2004000230-A2 CYCLOTHIOCARBAMATIVE DERIVATIVES AS PR MODULATORS AND USE THEREOF FOR TREATMENT OF SKIN DISORDERS WYETH (US) 2003-12-31 WO disclosed
US-6455568-B2 ADMINISTERING INDOLE DERIVATIVE DRUGS SUCH AS 2-(4-HYDROXY-PHENYL)-3-METHYL-1-(4-(2-PIPERIDIN-1-YL-ETHOXY)-BENZYL)-1H -INDOL-5-OL, AND ONE OR MORE ESTROGENS WYETH 2002-09-24 US disclosed
EP-0789080-A2 Process for the preparation of organic aminium lactates and their use in the preparation of dilactide Gesellschaft für ökologische Technologie und Systemanalyse e.V. (DE) 1997-08-13 EP 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 (7 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-20040002535-A1 Methods of treating hormone-related conditions using thio-oxindole derivatives GPER1, OXTR, SHBG LMNA 1457/4885CYP3A4 582/4885GABRA1 1844/4885
US-20040006122-A1 Methods of treating skin disorders using thio-oxindole derivatives SRD5A1, SRD5A2, OXER1 LMNA 4693/4885CYP3A4 1165/4885GABRA1 4012/4885
US-20120220558-A1 Methods of Treating Hormone-Related Conditions Using Thio-Oxindole Derivatives OXTR, GNRHR, SHBG LMNA 1295/4885CYP3A4 467/4885GABRA1 2227/4885
US-20040006060-A1 Methods of treating hormone-related conditions using cyclothiocarbamate derivatives ESRRA, GNRHR, ESRRG LMNA 844/4885CYP3A4 2145/4885GABRA1 1126/4885
US-20070225281-A1 6-Amino-1,4-dihydro-benzo[d][1,3]oxazin-2-ones and analogs useful as progesterone receptor modulators PGR, FSHR, GPR6 LMNA 4353/4885CYP3A4 440/4885GABRA1 281/4885
US-20040014798-A1 Cyclothiocarbamate derivatives as progesterone receptor modulators and methods of treating skin disorders NR5A1, MC1R, CYP17A1 LMNA 4684/4885CYP3A4 1973/4885GABRA1 1780/4885
US-20090099223-A1 METHODS OF TREATING HORMONE-RELATED CONDITIONS USING THIO-OXINDOLE DERIVATIVES OXTR, GNRHR, SHBG LMNA 1295/4885CYP3A4 467/4885GABRA1 2227/4885

“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.