SCHEMBL16088972

SCHEMBL16088972

C[C@H](N[S@+]([O-])C(C)(C)C)c1cc(-c2ccccc2)on1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.40
NPC1 O15118 5/20 0.40
NOTUM Q6P988 1/20 0.39
ALDH1A1 P00352 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
DRD1 P21728 1/20 0.38
SLC6A2 P23975 1/20 0.38
ADRA1A P35348 1/20 0.38
OPRM1 P35372 1/20 0.38
DRD3 P35462 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
KDM4E B2RXH2 2/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 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
SCHEMBL19034289 1.00 RAB9A (0.40) RAB9ANPC1NOTUMALDH1A1SMN1; SMN2
SCHEMBL16088973 0.87 IDH1 (0.38) RAB9ANPC1SMN1; SMN2TDP1KDM4E
SCHEMBL16045731 0.87 THRB (0.42) RAB9ANPC1NOTUMKDM4ETHRB
SCHEMBL19034352 0.87 IDH1 (0.38) RAB9ANPC1SMN1; SMN2TDP1KDM4E
SCHEMBL16045732 0.87 THRB (0.42) RAB9ANPC1NOTUMKDM4ETHRB
SCHEMBL30765823 0.74 HDAC1 (0.39) RAB9ANPC1ALDH1A1SMN1; SMN2DRD3
SCHEMBL2737273 0.73 RAB9A (0.55) RAB9ANPC1NOTUMALDH1A1SMN1; SMN2
SCHEMBL3747032 0.73 PHGDH (0.34)
SCHEMBL13041057 0.73 PHGDH (0.34)
SCHEMBL29472427 0.71 PTGS2 (0.40) ALDH1A1PTGS2MAPTLMNAMEN1

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 11 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-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 RAB9A 3012/4885NPC1 3540/4885NOTUM 4351/4885
US-20180051015-A1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH IDH1, IDH3B, IDH3A RAB9A 3012/4885NPC1 3540/4885NOTUM 4351/4885
US-20160318915-A1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH IDH1, IDH3B, IDH3A RAB9A 3012/4885NPC1 3540/4885NOTUM 4351/4885
US-20150152093-A1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH IDH1, IDH3B, IDH3A RAB9A 3012/4885NPC1 3540/4885NOTUM 4351/4885

“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.