SCHEMBL4101396

SCHEMBL4101396

Cc1cc(C#N)sc1-c1ccc2c(c1)C1(CCCCC1)C(=S)N2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PGR P06401 20/20 1.00
NR3C1 P04150 2/20 0.55
NR3C2 P08235 1/20 0.51
AR P10275 1/20 0.51

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
SCHEMBL5227050 0.86 PGR (0.76) PGRNR3C1NR3C2AR
SCHEMBL5228182 0.85 PGR (0.74) PGRNR3C1NR3C2AR
SCHEMBL4098486 0.84 PGR (0.73) PGRNR3C1NR3C2AR
SCHEMBL4098488 0.84 PGR (0.73) PGRNR3C1NR3C2AR
SCHEMBL3423569 0.84 PGR (0.72) PGRNR3C1NR3C2AR
SCHEMBL3423573 0.84 PGR (0.72) PGRNR3C1NR3C2AR
SCHEMBL4110098 0.81 PGR (1.00) PGRNR3C1
SCHEMBL3873645 0.81 PGR (0.69) PGRNR3C1NR3C2AR
SCHEMBL4093560 0.79 PGR (1.00) PGRNR3C1
SCHEMBL6379691 0.77 PGR (0.63) PGRNR3C1

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 42 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 claimed
US-8242098-B2 Methods of treating hormone-related conditions using thio-oxindole derivatives WYETH LLC (US) 2012-08-14 US claimed
US-20090099223-A1 METHODS OF TREATING HORMONE-RELATED CONDITIONS USING THIO-OXINDOLE DERIVATIVES WYETH (US) 2009-04-16 US claimed
US-7115649-B2 Methods of treating skin disorders using thio-oxindole derivatives WYETH (US) 2006-10-03 US claimed
EP-1515680-A4 USE OF THIO-OXINDOLE DERIVATIVES IN TREATMENT OF SKIN DISORDERS WYETH CORP (US) 2005-09-21 EP claimed
EP-1531806-A4 USE OF THIO-OXINDOLE DERIVATIVES IN TREATMENT OF HORMONE-RELATED CONDITIONS WYETH CORP (US) 2005-09-21 EP claimed
US-20050171186-A1 3-(1',2'-Dihydro-2'-thioxospiro[cyclohexane-1,3'-[3H]indol]-5'-yl)benzonitrile; 5'-(5-Cyano-1-methyl-1H-pyrrol-2-yl)spiro[cyclohexane-1,3'-[3H]indol]-2'-ylidenecyanamide; progesterone receptor agonist; mixture with estrone (estrogen); hormone replacement therapy, contraception; anticarcinogenic WYETH (US) 2005-08-04 US claimed
EP-1531806-A2 USE OF THIO-OXINDOLE DERIVATIVES IN TREATMENT OF HORMONE-RELATED CONDITIONS Wyeth (US) 2005-05-25 EP claimed
EP-1515680-A2 USE OF THIO-OXINDOLE DERIVATIVES IN TREATMENT OF SKIN DISORDERS Wyeth (US) 2005-03-23 EP claimed
US-20040006122-A1 Methods of treating skin disorders using thio-oxindole derivatives WYETH 2004-01-08 US claimed
US-20040002535-A1 Methods of treating hormone-related conditions using thio-oxindole derivatives WYETH (US) 2004-01-01 US claimed
WO-2004000227-A2 USE OF THIO-OXINDOLE DERIVATIVES IN TREATMENT OF SKIN DISORDERS WYETH (US) 2003-12-31 WO claimed
WO-2004000225-A2 USE OF THIO-OXINDOLE DERIVATIVES IN TREATMENT OF HORMONE-RELATED CONDITIONS WYETH (US) 2003-12-31 WO claimed
US-20020169198-A1 Thio-oxindole derivatives WYETH (US) 2002-11-14 US claimed
US-6355648-B1 COMPOUNDS AS CONTRACEPTIVES AND PROGESTERONE ANTAGONIST AMERICAN HOME PRODUCTS CORPORATION 2002-03-12 US claimed
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-6355648-B1 COMPOUNDS AS CONTRACEPTIVES AND PROGESTERONE ANTAGONIST AMERICAN HOME PRODUCTS CORPORATION 2002-03-12 US disclosed
EP-1181275-A1 THIO-OXINDOLE DERIVATIVES American Home Products Corporation (US) 2002-02-27 EP disclosed
WO-2000066555-A1 THIO-OXINDOLE DERIVATIVES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-11-09 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 (6 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 PGR 44/4885NR3C1 121/4885NR3C2 97/4885
US-20040006122-A1 Methods of treating skin disorders using thio-oxindole derivatives SRD5A1, SRD5A2, OXER1 PGR 1297/4885NR3C1 208/4885NR3C2 477/4885
US-20120220558-A1 Methods of Treating Hormone-Related Conditions Using Thio-Oxindole Derivatives OXTR, GNRHR, SHBG PGR 23/4885NR3C1 179/4885NR3C2 89/4885
US-20050171186-A1 3-(1',2'-Dihydro-2'-thioxospiro[cyclohexane-1,3'-[3H]indol]-5'-yl)benzonitrile; 5'-(5-Cyano-1-methyl-1H-pyrrol-2-yl)spiro[cyclohexane-1,3'-[3H]indol]-2'-ylidenecyanamide; progesterone receptor agonist; mixture with estrone (estrogen); hormone replacement therapy, contraception; anticarcinogenic PGR, ESR1, PGRMC1 PGR 1/4885NR3C1 20/4885NR3C2 11/4885
US-20020169198-A1 Thio-oxindole derivatives GPER1, PGR, ESR1 PGR 2/4885NR3C1 14/4885NR3C2 8/4885
US-20090099223-A1 METHODS OF TREATING HORMONE-RELATED CONDITIONS USING THIO-OXINDOLE DERIVATIVES OXTR, GNRHR, SHBG PGR 23/4885NR3C1 179/4885NR3C2 89/4885

“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.