SCHEMBL16088907

SCHEMBL16088907

C[C@H](NC(=O)OC(C)(C)C)c1ccc(-c2ccc(C(F)(F)F)nc2)nc1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.55
NR1I2 O75469 1/20 0.55
IDH1 O75874 1/20 0.43
GPR139 Q6DWJ6 1/20 0.42
TRPV3 Q8NET8 10/20 0.41
P2RX3 P56373 4/20 0.41
P2RX2 Q9UBL9 3/20 0.41
MAPK1 P28482 1/20 0.40
DGAT1 O75907 1/20 0.40

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
SCHEMBL30277283 0.92 CYP2C9 (0.48) CYP2C9NR1I2GPR139P2RX3P2RX2
SCHEMBL19962270 0.92 CYP2C9 (0.48) CYP2C9NR1I2GPR139P2RX3P2RX2
SCHEMBL16088906 0.83 LGMN (0.41) CYP2C9NR1I2IDH1TRPV3
SCHEMBL16088904 0.82 CYP2C9 (0.50) CYP2C9NR1I2IDH1P2RX3
SCHEMBL16088903 0.81 NR1I2 (0.44) CYP2C9NR1I2IDH1
SCHEMBL29401838 0.80 CYP2C9 (0.42) CYP2C9NR1I2GPR139P2RX3P2RX2
SCHEMBL20580888 0.80 CYP2C9 (0.42) CYP2C9NR1I2GPR139P2RX3P2RX2
SCHEMBL1741864 0.79 GPR139 (0.40) CYP2C9NR1I2GPR139TRPV3P2RX3
SCHEMBL24756813 0.78 S1PR3 (0.41) CYP2C9NR1I2MAPK1
SCHEMBL24757480 0.78 S1PR3 (0.41) CYP2C9NR1I2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180051015-A1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH NOVARTIS AG (CH) 2018-02-22 US disclosed
US-20180051015-A1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH NOVARTIS AG (CH) 2018-02-22 US disclosed
US-9688672-B2 3-pyrimidin-4-yl-oxazolidin-2-ones as inhibitors of mutant IDH NOVARTIS AG (CH) 2017-06-27 US disclosed
US-9688672-B2 3-pyrimidin-4-yl-oxazolidin-2-ones as inhibitors of mutant IDH NOVARTIS AG (CH) 2017-06-27 US disclosed
US-20160318915-A1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH NOVARTIS AG (CH) 2016-11-03 US disclosed
US-9434719-B2 3-pyrimidin-4-yl-oxazolidin-2-ones as inhibitors of mutant IDH NOVARTIS AG (CH) 2016-09-06 US disclosed
US-9434719-B2 3-pyrimidin-4-yl-oxazolidin-2-ones as inhibitors of mutant IDH NOVARTIS AG (CH) 2016-09-06 US disclosed
US-20150152093-A1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH NOVARTIS AG (CH) 2015-06-04 US disclosed
US-20140275083-A1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH NOVARTIS AG (CH) 2014-09-18 US disclosed
US-20140275083-A1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH NOVARTIS AG (CH) 2014-09-18 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 (4 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-20140275083-A1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH IDH1, IDH3B, IDH3A CYP2C9 1667/4885NR1I2 1587/4885IDH1 1/4885
US-20180051015-A1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH IDH1, IDH3B, IDH3A CYP2C9 1667/4885NR1I2 1587/4885IDH1 1/4885
US-20160318915-A1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH IDH1, IDH3B, IDH3A CYP2C9 1667/4885NR1I2 1587/4885IDH1 1/4885
US-20150152093-A1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH IDH1, IDH3B, IDH3A CYP2C9 1667/4885NR1I2 1587/4885IDH1 1/4885

“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.