SCHEMBL4086084

SCHEMBL4086084

CC1(C)COC(=O)N1c1nc(-c2ccc(C#N)cc2)c(Cl)s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CG P48736 1/20 0.38
IDH1 O75874 7/20 0.37
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
RECQL P46063 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALOX5 P09917 1/20 0.35
PTGS2 P35354 1/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.34
PTPN11 Q06124 1/20 0.33
BACE1 P56817 2/20 0.33
BACE2 Q9Y5Z0 1/20 0.33
KDM5B Q9UGL1 1/20 0.32
PRF1 P14222 1/20 0.32
AR P10275 1/20 0.32

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 0.88 PIK3CD (0.38) PIK3CDPIK3CAPIK3CGIDH1MEN1
SCHEMBL4077257 0.87 PIK3CD (0.39) PIK3CDPIK3CAPIK3CGIDH1MEN1
SCHEMBL4078919 0.80 DHODH (0.41) PIK3CDPIK3CAPIK3CGIDH1MEN1
SCHEMBL4078988 0.77 GAA (0.55) IDH1MEN1GAAMAPTRECQL
SCHEMBL4079104 0.77 IDH1 (0.38) IDH1MEN1GAAMAPTRECQL
SCHEMBL4073483 0.74 PIK3CD (0.46) PIK3CDPIK3CAPIK3CGIDH1MEN1
SCHEMBL4080191 0.73 ALOX5 (0.35) MEN1GAAMAPTRECQLKMT2A
SCHEMBL3973340 0.73 PTGDR2 (0.35) PIK3CDPIK3CAPIK3CGMEN1GAA
SCHEMBL4075313 0.73 TP53 (0.39) IDH1MEN1GAAMAPTRECQL
SCHEMBL3974593 0.72 NPSR1 (0.49) PIK3CDPIK3CAPIK3CGIDH1MAPT

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 12 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-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 claimed
CN-101501031-A Oxazolidone derivatives as pr modulators WYETH CORP (US) 2009-08-05 CN claimed
EP-2054410-A2 OXAZOLIDONE DERIVATIVES AS PR MODULATORS Wyeth (US) 2009-05-06 EP claimed
US-20080045556-A1 Oxazolidone derivatives as PR modulators WYETH (US) 2008-02-21 US claimed
WO-2008021331-A2 OXAZOLIDONE DERIVATIVES 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
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
WO-2008021331-A2 OXAZOLIDONE DERIVATIVES 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 (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-20080045556-A1 Oxazolidone derivatives as PR modulators MC2R, NPY1R, PRLHR PIK3CD 4187/4885PIK3CA 3496/4885PIK3CG 4308/4885

“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.