SCHEMBL4087254

SCHEMBL4087254

Cn1cc(-c2csc(NC(C)(C)CO)n2)cc1C#N

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCP P55072 2/20 0.35
RAB9A P51151 3/20 0.34
NPC1 O15118 2/20 0.34
MRE11 P49959 3/20 0.33
ABL1 P00519 2/20 0.32
KDM4E B2RXH2 2/20 0.32
LMNA P02545 3/20 0.31
TDP1 Q9NUW8 2/20 0.31
POLB P06746 1/20 0.31
APEX1 P27695 1/20 0.31
MAOA P21397 4/20 0.31
MAOB P27338 4/20 0.31
CFTR P13569 1/20 0.31
MEN1 O00255 2/20 0.31
GAA P10253 2/20 0.31
ALOX12 P18054 2/20 0.31
KMT2A Q03164 2/20 0.31
GFER P55789 1/20 0.31
OTUD7B Q6GQQ9 1/20 0.31
SMN1; SMN2 Q16637 3/20 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
SCHEMBL4082457 0.80 VCP (0.35) VCPRAB9ANPC1MRE11KDM4E
Hydrochloric Acid SCHEMBL4075479 0.79 VCP (0.38) VCPRAB9ANPC1MRE11ABL1
SCHEMBL3175801 0.77 VCP (0.58) VCPKDM4ELMNAMAOAMAOB
SCHEMBL3166410 0.76 CYP1A1 (0.51) VCPRAB9ANPC1MRE11ABL1
SCHEMBL3527848 0.74 SIRT5 (0.48) VCPRAB9AABL1MEN1KMT2A
SCHEMBL4083643 0.70 PIK3CG (0.39) VCPABL1KDM4ELMNAPOLB
SCHEMBL4077729 0.70 MAPT (0.59) RAB9ANPC1KDM4ELMNATDP1
Hydrochloric Acid SCHEMBL4078444 0.70 PIK3CG (0.38) VCPABL1KDM4ELMNAPOLB
SCHEMBL4078682 0.69 MEN1 (0.52) VCPRAB9ANPC1ABL1MAOA
SCHEMBL3977673 0.68 ABL1 (0.62) VCPRAB9ANPC1ABL1LMNA

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 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 VCP 2712/4885RAB9A 1677/4885NPC1 4830/4885

“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.