SCHEMBL4075677

SCHEMBL4075677

CC(C)(CO)Nc1nc2c(s1)CCc1cc(C#N)ccc1-2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
TP53 P04637 2/20 0.41
ALOX5 P09917 1/20 0.41
POLB P06746 2/20 0.40
KMT2A Q03164 6/20 0.40
MEN1 O00255 5/20 0.40
HPGD P15428 3/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
DYRK1A Q13627 1/20 0.38
RAB9A P51151 3/20 0.38
LMNA P02545 3/20 0.37
XIAP P98170 1/20 0.37
ADORA1 P30542 1/20 0.35

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
SCHEMBL4484753 0.88 MAPT (0.40) MAPTSMN1; SMN2TP53ALOX5POLB
SCHEMBL3971582 0.78 MAPT (0.35) MAPTSMN1; SMN2TP53ALOX5POLB
SCHEMBL4090064 0.74 PIK3CD (0.34) MAPTSMN1; SMN2TP53ALOX5POLB
SCHEMBL4075399 0.71 ACHE (0.37)
SCHEMBL1485004 0.69 PIK3CA (0.42)
SCHEMBL4076372 0.64 PIK3CD (0.37) MAPTSMN1; SMN2TP53POLBKMT2A
SCHEMBL4073483 0.64 PIK3CD (0.46) MAPTSMN1; SMN2TP53KMT2AMEN1
SCHEMBL27913249 0.64 DRD2 (0.52)
SCHEMBL3175801 0.63 VCP (0.58) MAPTSMN1; SMN2KMT2AMEN1KDM4E
SCHEMBL3166410 0.62 CYP1A1 (0.51) MAPTSMN1; SMN2KMT2AMEN1HPGD

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 7 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
US-7618989-B2 Tricyclic oxazolidone derivatives useful as PR modulators WYETH (US) 2009-11-17 US disclosed
EP-2054410-A2 OXAZOLIDONE DERIVATIVES AS PR MODULATORS Wyeth (US) 2009-05-06 EP disclosed
US-20080045578-A1 Tricyclic oxazolidone derivatives useful as PR modulators WYETH (US) 2008-02-21 US disclosed
US-20080045556-A1 Oxazolidone derivatives as PR modulators WYETH (US) 2008-02-21 US disclosed
WO-2008021338-A2 TRICYCLIC OXAZOLIDONE DERIVATIVES USEFUL AS PR MODULATORS WYETH (US) 2008-02-21 WO 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-20080045578-A1 Tricyclic oxazolidone derivatives useful as PR modulators MC2R, GNRHR, MC3R MAPT 1702/4885SMN1; SMN2 3186/4885TP53 633/4885
US-20080045556-A1 Oxazolidone derivatives as PR modulators MC2R, NPY1R, PRLHR MAPT 1550/4885SMN1; SMN2 3382/4885TP53 762/4885

“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.