SCHEMBL4494239

SCHEMBL4494239

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

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 4/20 0.35
MTOR P42345 2/20 0.34
ALOX5 P09917 1/20 0.33
PTGS2 P35354 1/20 0.33
PTGDR2 Q9Y5Y4 2/20 0.32
KDM1A O60341 2/20 0.32
P2RX3 P56373 2/20 0.32
P2RX2 Q9UBL9 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
RECQL P46063 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PTPN11 Q06124 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
SCHEMBL4499677 0.89 IDH1 (0.35) IDH1MTORALOX5PTGS2KDM1A
SCHEMBL4496745 0.88 IDH1 (0.36) IDH1MTORALOX5PTGS2P2RX3
SCHEMBL4075542 0.86 MTOR (0.38) IDH1MTORP2RX3P2RX2ALDH1A1
SCHEMBL4075732 0.86 MTOR (0.38) IDH1MTORP2RX3P2RX2ALDH1A1
SCHEMBL4078206 0.79 GAA (0.51) IDH1KDM4EMEN1GAAMAPT
SCHEMBL4079139 0.79 GAA (0.51) IDH1KDM4EMEN1GAAMAPT
SCHEMBL3973340 0.76 PTGDR2 (0.35) ALOX5PTGS2PTGDR2KDM1AKDM4E
SCHEMBL4077257 0.74 PIK3CD (0.39) IDH1ALOX5PTGS2PTGDR2KDM1A
SCHEMBL27826404 0.74 CNR1 (0.35) ALOX5PTGS2PTGDR2KDM1AMEN1
SCHEMBL4081408 0.74 MTOR (0.35) IDH1MTORP2RX3P2RX2MAPT

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 1676/4885ALOX5 2140/4885

“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.