SCHEMBL16044609

SCHEMBL16044609

Cc1cc(C(C)NC(=O)OC(C)(C)C)ccc1O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.41
AAK1 Q2M2I8 1/20 0.40
TP53 P04637 1/20 0.39
KMT2A Q03164 1/20 0.39
TSHR P16473 2/20 0.39
HSD17B10 Q99714 2/20 0.39
POLB P06746 1/20 0.39
ATM Q13315 1/20 0.39
ACACB O00763 1/20 0.38
ACACA Q13085 1/20 0.38
ABCB1 P08183 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CTSS P25774 1/20 0.38

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
SCHEMBL16044610 1.00 CTSK (0.41) CTSKAAK1TP53KMT2ATSHR
SCHEMBL3315171 0.88 CTSK (0.43) CTSKTP53KMT2ATSHRHSD17B10
SCHEMBL17740759 0.84 TRPA1 (0.43) CTSKAAK1TP53KMT2A
SCHEMBL8191287 0.84 SMN1; SMN2 (0.46) CTSKAAK1TP53
SCHEMBL17041579 0.84 AAK1 (0.45) CTSKAAK1TP53KMT2APOLB
SCHEMBL11353719 0.83 CTSS (0.44) CTSKTSHRCTSS
SCHEMBL15463451 0.83 CTSK (0.42) CTSKAAK1TP53KMT2APOLB
SCHEMBL3705247 0.82 CTSS (0.41) CTSKAAK1CTSS
SCHEMBL2010271 0.82 CTSK (0.40) CTSKTP53KMT2ATSHRHSD17B10
SCHEMBL2010266 0.82 CTSK (0.40) CTSKTP53KMT2ATSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10112931-B2 3-pyrimidin-4-yl-oxazolidin-2-ones as inhibitors of mutant IDH NOVARTIS AG (CH) 2018-10-30 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
EP-2970240-B1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH NOVARTIS AG (CH) 2018-01-10 EP 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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 CTSK 4789/4885AAK1 3258/4885TP53 13/4885
US-20180051015-A1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH IDH1, IDH3B, IDH3A CTSK 4789/4885AAK1 3258/4885TP53 13/4885
US-20160318915-A1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH IDH1, IDH3B, IDH3A CTSK 4789/4885AAK1 3258/4885TP53 13/4885
US-20150152093-A1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH IDH1, IDH3B, IDH3A CTSK 4789/4885AAK1 3258/4885TP53 13/4885
US-10112931-B2 3-pyrimidin-4-yl-oxazolidin-2-ones as inhibitors of mutant IDH IDH1, IDH3B, IDH3A CTSK 4789/4885AAK1 3258/4885TP53 13/4885

“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.