SCHEMBL4497018

SCHEMBL4497018

C[C@@H]1COC(=O)N1c1nc(-c2cccc(C#N)c2)cs1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT5 Q9NXA8 2/20 0.45
IDO1 P14902 1/20 0.44
UCHL1 P09936 1/20 0.43
USP30 Q70CQ3 1/20 0.43
AR P10275 1/20 0.41
MTOR P42345 1/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
RECQL P46063 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CSNK2A1 P68400 2/20 0.40
CSNK2A2 P19784 1/20 0.40
CSNK2B P67870 1/20 0.40
CSNK2A3 Q8NEV1 1/20 0.40
JAK2 O60674 1/20 0.39
PRKD3 O94806 1/20 0.39
ABL1 P00519 1/20 0.39
EGFR P00533 1/20 0.39

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
SCHEMBL4075521 0.87 GAA (0.54) SIRT5ARMEN1GAAMAPT
SCHEMBL4074059 0.87 GAA (0.54) SIRT5ARMEN1GAAMAPT
SCHEMBL4492132 0.87 GAA (0.54) SIRT5ARMEN1GAAMAPT
SCHEMBL4080528 0.84 ALDH1A1 (0.46) ARMEN1GAAMAPTRECQL
SCHEMBL3167605 0.78 SIRT5 (0.45) SIRT5IDO1UCHL1USP30AR
SCHEMBL4075164 0.77 RAB9A (0.50) MEN1MAPTKMT2AEGFRERBB2
SCHEMBL3166808 0.77 RAB9A (0.50) MEN1MAPTKMT2AEGFRERBB2
SCHEMBL4077340 0.77 RAB9A (0.50) MEN1MAPTKMT2AEGFRERBB2
SCHEMBL4078206 0.74 GAA (0.51) SIRT5ARMEN1GAAMAPT
SCHEMBL4079139 0.74 GAA (0.51) SIRT5ARMEN1GAAMAPT

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 4 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
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 SIRT5 1031/4885IDO1 1752/4885UCHL1 3575/4885

“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.