SCHEMBL3973250

SCHEMBL3973250

N#Cc1cc(C(=O)CCl)cs1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 15/20 0.58
TRPA1 O75762 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
HIF1A Q16665 1/20 0.38
S100A9 P06702 1/20 0.33
IKBKB O14920 1/20 0.33
DAO P14920 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
SCHEMBL25819051 0.82 PGR (0.38) GSK3BIKBKBDAO
SCHEMBL10638896 0.79 DAO (0.35) GSK3BS100A9IKBKBDAO
SCHEMBL26663876 0.77 DAO (0.50) ALDH1A1MAPK1HIF1AIKBKBDAO
SCHEMBL6789226 0.73 GSK3B (1.00) GSK3BTRPA1ALDH1A1MAPK1HIF1A
SCHEMBL3976327 0.69 GSK3B (0.46) GSK3B
SCHEMBL1657827 0.66 GSK3B (0.66) GSK3BTRPA1ALDH1A1MAPK1HIF1A
SCHEMBL3087927 0.66 GSK3B (0.54) GSK3BTRPA1ALDH1A1MAPK1HIF1A
SCHEMBL27953803 0.66 RPS6KB2 (0.41) TRPA1ALDH1A1HIF1AS100A9IKBKB
SCHEMBL10745445 0.64 GSK3B (0.70) GSK3BTRPA1ALDH1A1MAPK1HIF1A
Ammonia Solution, Strong SCHEMBL9863379 0.64 GSK3B (0.63) GSK3BTRPA1ALDH1A1MAPK1HIF1A

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 6 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 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 GSK3B 389/4885TRPA1 1848/4885ALDH1A1 3334/4885

“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.