SCHEMBL4496745

SCHEMBL4496745

CC[C@H]1COC(=O)N1c1nc(-c2ccc(C#N)cc2)c(Cl)s1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 9/20 0.36
MTOR P42345 1/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
RECQL P46063 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ACHE P22303 2/20 0.33
ALOX5 P09917 1/20 0.33
PTGS2 P35354 1/20 0.33
PIK3CD O00329 1/20 0.33
P2RX3 P56373 1/20 0.32
P2RX2 Q9UBL9 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HRH3 Q9Y5N1 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
SCHEMBL4499677 0.89 IDH1 (0.35) IDH1MTORMEN1GAAMAPT
SCHEMBL4494239 0.88 IDH1 (0.35) IDH1MTORMEN1GAAMAPT
SCHEMBL4076408 0.86 MTOR (0.35) IDH1MTORMAPTP2RX3P2RX2
SCHEMBL4081408 0.86 MTOR (0.35) IDH1MTORMAPTP2RX3P2RX2
SCHEMBL4079139 0.79 GAA (0.51) IDH1MEN1GAAMAPTRECQL
SCHEMBL4078206 0.79 GAA (0.51) IDH1MEN1GAAMAPTRECQL
SCHEMBL4086084 0.74 PIK3CD (0.38) IDH1MEN1GAAMAPTRECQL
SCHEMBL4075542 0.74 MTOR (0.38) IDH1MTORMEN1MAPTRECQL
SCHEMBL4075732 0.74 MTOR (0.38) IDH1MTORMEN1MAPTRECQL
SCHEMBL4078711 0.71 GAA (0.49) IDH1MEN1GAAMAPTRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20080045556-A1 Oxazolidone derivatives as PR modulators WYETH (US) 2008-02-21 US 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 disclosed
CN-101501031-A Oxazolidone derivatives as pr modulators WYETH CORP (US) 2009-08-05 CN disclosed
US-20080045556-A1 Oxazolidone derivatives as PR modulators WYETH (US) 2008-02-21 US 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 IDH1 971/4885MTOR 1676/4885MEN1 699/4885

“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.