SCHEMBL4498531

SCHEMBL4498531

CC1(C)COC(=O)N1c1nc(-c2ccc(OC(F)(F)F)cc2)cs1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.41
AR P10275 2/20 0.40
NPC1 O15118 6/20 0.40
RAB9A P51151 6/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
OPRK1 P41145 1/20 0.40
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
MAPT P10636 4/20 0.39
TDP1 Q9NUW8 2/20 0.39
NFKB1 P19838 1/20 0.39
STAT1 P42224 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 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
SCHEMBL4078198 0.86 AR (0.54) ARNPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL4484758 0.85 SIRT5 (0.42) ALOX5ARNPC1RAB9AMEN1
SCHEMBL4076674 0.84 MAPT (0.52) ALOX5ARNPC1RAB9ASMN1; SMN2
SCHEMBL4077058 0.83 NPC1 (0.49) ARNPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL4087581 0.83 AR (0.52) ARNPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL4075018 0.82 SMN1; SMN2 (0.51) ARNPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL4077609 0.82 MAPT (0.52) ARNPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL3977547 0.82 MEN1 (0.48) ARNPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL4075308 0.81 MEN1 (0.50) ARNPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL4075411 0.80 SIRT5 (0.48) NPC1RAB9ASMN1; SMN2MEN1KMT2A

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 ALOX5 2140/4885AR 47/4885NPC1 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.