SCHEMBL14832425

SCHEMBL14832425

CC(C)C[C@@H]1COC(=O)N1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
S1PR1 P21453 5/20 0.34
LMNA P02545 1/20 0.34
CYP3A4 P08684 1/20 0.34
GAA P10253 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
PLG P00747 1/20 0.34
HTR1D P28221 4/20 0.33
HTR1B P28222 4/20 0.33
IRAK4 Q9NWZ3 2/20 0.33
HTR1A P08908 2/20 0.33
PIK3CD O00329 1/20 0.33
HTR2A P28223 1/20 0.33
ADRA1A P35348 1/20 0.33
HTR1F P30939 1/20 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
SCHEMBL14553365 1.00 KMT2A (0.35) KMT2AMEN1S1PR1LMNACYP3A4
SCHEMBL12161361 1.00 KMT2A (0.35) KMT2AMEN1S1PR1LMNACYP3A4
SCHEMBL19442208 0.81 PLG (0.35) KMT2AMEN1LMNACYP3A4GAA
SCHEMBL13626229 0.81 MEN1 (0.33) KMT2AMEN1LMNACYP3A4GAA
SCHEMBL27367158 0.81 IRAK4 (0.32) KMT2AS1PR1HTR1DHTR1BIRAK4
SCHEMBL25253638 0.80 IRAK4 (0.35) KMT2AIRAK4
SCHEMBL2035277 0.80 HTR1D (0.32) KMT2AHTR1DHTR1BHTR1AHTR2A
SCHEMBL1438805 0.77
SCHEMBL1438806 0.77
SCHEMBL2366618 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2771337-B1 3-(PYRIMIDIN-4-YL)-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH NOVARTIS AG (CH) 2017-08-02 EP disclosed
EP-2771337-B1 3-(PYRIMIDIN-4-YL)-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH NOVARTIS AG (CH) 2017-08-02 EP disclosed
US-9242984-B2 Pyrazolyl derivatives as Syk inhibitors MERCK SHARP & DOHME CORP. (US) 2016-01-26 US disclosed
US-20150191461-A1 PYRAZOLYL DERIVATIVES AS SYK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-07-09 US disclosed
US-8957068-B2 3-pyrimidin-4-yl-oxazolidin-2-ones as inhibitors of mutant IDH NOVARTIS AG (CH) 2015-02-17 US disclosed
US-8957068-B2 3-pyrimidin-4-yl-oxazolidin-2-ones as inhibitors of mutant IDH NOVARTIS AG (CH) 2015-02-17 US disclosed
US-8957068-B2 3-pyrimidin-4-yl-oxazolidin-2-ones as inhibitors of mutant IDH NOVARTIS AG (CH) 2015-02-17 US disclosed
EP-2771337-A1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH Novartis AG (CH) 2014-09-03 EP disclosed
US-20140235620-A1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH NOVARTIS AG (CH) 2014-08-21 US disclosed
US-20140235620-A1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH NOVARTIS AG (CH) 2014-08-21 US disclosed
US-20140235620-A1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH NOVARTIS AG (CH) 2014-08-21 US disclosed
WO-2013046136-A1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH NOVARTIS AG (CH) 2013-04-04 WO disclosed
WO-2013046136-A1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH NOVARTIS AG (CH) 2013-04-04 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-20150191461-A1 PYRAZOLYL DERIVATIVES AS SYK INHIBITORS SYK, BTK, LCK KMT2A 2456/4885MEN1 4783/4885S1PR1 289/4885
US-20140235620-A1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH IDH1, IDH3A, IDH3B KMT2A 283/4885MEN1 2355/4885S1PR1 4081/4885

“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.