SCHEMBL4499677

SCHEMBL4499677

CC[C@H]1COC(=O)N1c1nc(-c2ccc(C#N)cc2)c(C#N)s1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 2/20 0.35
MTOR P42345 2/20 0.35
PTPN11 Q06124 1/20 0.34
ALOX5 P09917 1/20 0.34
PTGS2 P35354 1/20 0.34
ACHE P22303 2/20 0.33
P2RX3 P56373 2/20 0.33
P2RX2 Q9UBL9 2/20 0.33
ALDH1A1 P00352 3/20 0.32
HRH3 Q9Y5N1 3/20 0.32
MEN1 O00255 2/20 0.32
MAPT P10636 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 2/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
RECQL P46063 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
KDM1A O60341 2/20 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
SCHEMBL4494239 0.89 IDH1 (0.35) IDH1MTORPTPN11ALOX5PTGS2
SCHEMBL4496745 0.89 IDH1 (0.36) IDH1MTORALOX5PTGS2ACHE
SCHEMBL4078206 0.80 GAA (0.51) IDH1MEN1MAPTKMT2AKDM4E
SCHEMBL4079139 0.80 GAA (0.51) IDH1MEN1MAPTKMT2AKDM4E
SCHEMBL4075542 0.74 MTOR (0.38) IDH1MTORP2RX3P2RX2ALDH1A1
SCHEMBL4075732 0.74 MTOR (0.38) IDH1MTORP2RX3P2RX2ALDH1A1
SCHEMBL4076408 0.74 MTOR (0.35) IDH1MTORP2RX3P2RX2MAPT
SCHEMBL4081408 0.74 MTOR (0.35) IDH1MTORP2RX3P2RX2MAPT
SCHEMBL4078711 0.72 GAA (0.49) IDH1MEN1MAPTKMT2AKDM4E
SCHEMBL4082583 0.72 GAA (0.49) IDH1MEN1MAPTKMT2AKDM4E

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
CN-101501031-A Oxazolidone derivatives as pr modulators WYETH CORP (US) 2009-08-05 CN 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 IDH1 971/4885MTOR 1676/4885PTPN11 1462/4885

“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.