SCHEMBL3166394

SCHEMBL3166394

CC1(C)CO/C(=N\S(C)(=O)=O)N1c1nc(-c2ccc(C#N)cc2)cs1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.45
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.45
RECQL P46063 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
AR P10275 2/20 0.43
MAOA P21397 8/20 0.36
MAOB P27338 8/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPK1 P28482 1/20 0.36
SIRT5 Q9NXA8 2/20 0.36
JAK2 O60674 1/20 0.36
PRKD3 O94806 1/20 0.36
ABL1 P00519 1/20 0.36
EGFR P00533 1/20 0.36
ERBB2 P04626 1/20 0.36
LCK P06239 1/20 0.36
CDK1 P06493 1/20 0.36
CSF1R P07333 1/20 0.36

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
SCHEMBL3166401 1.00 GAA (0.45) GAAMEN1MAPTRECQLKMT2A
SCHEMBL3176869 0.86 AR (0.47) GAAMEN1MAPTRECQLKMT2A
SCHEMBL3176862 0.86 AR (0.47) GAAMEN1MAPTRECQLKMT2A
SCHEMBL3167651 0.84 KMT2A (0.45) GAAMEN1MAPTRECQLKMT2A
SCHEMBL3167662 0.84 KMT2A (0.45) GAAMEN1MAPTRECQLKMT2A
SCHEMBL4078988 0.83 GAA (0.55) GAAMEN1MAPTRECQLKMT2A
SCHEMBL3161083 0.81 GAA (0.49) GAAMEN1MAPTRECQLKMT2A
SCHEMBL3526486 0.81 GAA (0.49) GAAMEN1MAPTRECQLKMT2A
SCHEMBL4084526 0.73 AR (0.53) GAAMEN1MAPTRECQLKMT2A
SCHEMBL4076521 0.73 KMT2A (0.57) GAAMEN1MAPTRECQLKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7649007-B2 Oxazolidine derivatives as PR modulators WYETH LLC (US) 2010-01-19 US claimed
US-20080045579-A1 Oxazolidine derivatives as PR modulators WYETH (US) 2008-02-21 US claimed
US-7649007-B2 Oxazolidine derivatives as PR modulators WYETH LLC (US) 2010-01-19 US 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
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
US-20080045579-A1 Oxazolidine 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 (2 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-20080045579-A1 Oxazolidine derivatives as PR modulators NPY1R, GNRHR, KISS1R GAA 4758/4885MEN1 142/4885MAPT 1518/4885
US-20080045556-A1 Oxazolidone derivatives as PR modulators MC2R, NPY1R, PRLHR GAA 4758/4885MEN1 699/4885MAPT 1550/4885

“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.