SCHEMBL4407646

SCHEMBL4407646

CC1(C)COC(=O)N1c1nc2c(ccc3cc(C#N)ccc32)s1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
STS P08842 1/20 0.34
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
IDH1 O75874 5/20 0.32
NCEH1 Q6PIU2 1/20 0.32
SLC6A4 P31645 1/20 0.32
PIK3CD O00329 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CG P48736 1/20 0.31
CHRNA7 P36544 1/20 0.31
DAO P14920 1/20 0.31
TNKS O95271 2/20 0.30
G6PD P11413 2/20 0.30

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
SCHEMBL3971702 0.72 PIK3CD (0.38) IDH1PIK3CDPIK3CAPIK3CG
SCHEMBL4073483 0.71 PIK3CD (0.46) IDH1PIK3CDPIK3CAPIK3CG
SCHEMBL4086084 0.71 PIK3CD (0.38) IDH1PIK3CDPIK3CAPIK3CG
SCHEMBL4077257 0.71 PIK3CD (0.39) IDH1PIK3CDPIK3CAPIK3CG
SCHEMBL4078988 0.70 GAA (0.55) IDH1
SCHEMBL4075016 0.70 AR (0.43) IDH1PIK3CDPIK3CA
SCHEMBL3167605 0.69 SIRT5 (0.45)
SCHEMBL18273030 0.69 CYP3A4 (0.41) CA1CA2
SCHEMBL4079104 0.68 IDH1 (0.38) IDH1
SCHEMBL4075290 0.66 PGR (0.40) IDH1PIK3CDPIK3CAPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101501031-B Oxazolidone derivatives as PR modulators WYETH (US) 2012-02-01 CN claimed
US-7618989-B2 Tricyclic oxazolidone derivatives useful as PR modulators WYETH (US) 2009-11-17 US claimed
US-20080045578-A1 Tricyclic oxazolidone derivatives useful as PR modulators WYETH (US) 2008-02-21 US claimed
WO-2008021338-A2 TRICYCLIC OXAZOLIDONE DERIVATIVES USEFUL AS PR MODULATORS WYETH (US) 2008-02-21 WO claimed
CN-101501031-B Oxazolidone derivatives as PR modulators WYETH (US) 2012-02-01 CN disclosed
US-7618990-B2 4-[2-(4,4-Dimethyl-2-thioxo-1,3-oxazolidin-3-yl)-1,3-thiazol-4-yl]benzonitrile; progesterone receptor (PR); contraception, treating or preventing fibroids, endometriosis, dysfunctional bleeding, uterine leiomyomata, polycystic ovary syndrome, or hormone-dependent carcinomas, hormone replacement therapy WYETH (US) 2009-11-17 US disclosed
US-7618989-B2 Tricyclic oxazolidone derivatives useful as PR modulators WYETH (US) 2009-11-17 US disclosed
CN-101501031-A Oxazolidone derivatives as pr modulators WYETH CORP (US) 2009-08-05 CN disclosed
EP-2054410-A2 OXAZOLIDONE DERIVATIVES AS PR MODULATORS Wyeth (US) 2009-05-06 EP disclosed
US-20080045556-A1 Oxazolidone derivatives as PR modulators WYETH (US) 2008-02-21 US disclosed
US-20080045578-A1 Tricyclic oxazolidone derivatives useful as PR modulators WYETH (US) 2008-02-21 US disclosed
WO-2008021331-A2 OXAZOLIDONE DERIVATIVES AS PR MODULATORS WYETH (US) 2008-02-21 WO disclosed
WO-2008021338-A2 TRICYCLIC OXAZOLIDONE DERIVATIVES USEFUL AS PR MODULATORS WYETH (US) 2008-02-21 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 (2 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-20080045578-A1 Tricyclic oxazolidone derivatives useful as PR modulators MC2R, GNRHR, MC3R STS 756/4885CA1 2402/4885CA2 2154/4885
US-20080045556-A1 Oxazolidone derivatives as PR modulators MC2R, NPY1R, PRLHR STS 1081/4885CA1 2689/4885CA2 2603/4885

“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.