SCHEMBL2701328

SCHEMBL2701328

CC(N)(OCC(F)(F)F)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.51
ALDH1A1 P00352 2/20 0.43
TSHR P16473 1/20 0.43
TAAR1 Q96RJ0 2/20 0.41
MAPK1 P28482 1/20 0.39
KCNN4 O15554 1/20 0.38
KIF11 P52732 1/20 0.37
ALOX15 P16050 1/20 0.36
SLC6A2 P23975 1/20 0.36
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA5A P35218 1/20 0.34
CA9 Q16790 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
IDO1 P14902 2/20 0.33
TDO2 P48775 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33

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
SCHEMBL8566517 0.80 ALDH1A1 (0.46) TACR1ALDH1A1TSHRTAAR1MAPK1
SCHEMBL16101822 0.80 CYP19A1 (0.41) TACR1KIF11
SCHEMBL3685988 0.78 TAAR1 (0.45) TACR1ALDH1A1TAAR1MAPK1KCNN4
SCHEMBL2698652 0.77 KIF11 (0.46) TACR1ALDH1A1TSHRTAAR1MAPK1
SCHEMBL5872334 0.75 KIF11 (0.52) TACR1ALDH1A1TSHRMAPK1KCNN4
SCHEMBL9078324 0.75 TSHR (0.50) TACR1ALDH1A1TSHRMAPK1KCNN4
SCHEMBL30184759 0.74 KIF11 (0.42) TACR1ALDH1A1TAAR1MAPK1KCNN4
SCHEMBL3726527 0.73 CYP2C19 (0.42) TACR1ALDH1A1TSHRKCNN4ALOX15
SCHEMBL3478682 0.70 MAPK1 (0.48) ALDH1A1TAAR1MAPK1KCNN4ALOX15
SCHEMBL2700899 0.70 MAPK1 (0.48) ALDH1A1TAAR1MAPK1KCNN4ALOX15

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 9 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
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
US-8168668-B2 Compounds ASTRAZENECA AB (SE) 2012-05-01 US disclosed
US-20100286202-A1 New Compounds ASTRAZENECA AB (SE) 2010-11-11 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 (6 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 TACR1 4008/4885ALDH1A1 275/4885TSHR 3637/4885
US-20180051015-A1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH IDH1, IDH3B, IDH3A TACR1 4008/4885ALDH1A1 275/4885TSHR 3637/4885
US-20160318915-A1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH IDH1, IDH3B, IDH3A TACR1 4008/4885ALDH1A1 275/4885TSHR 3637/4885
US-20100286202-A1 New Compounds REN, PCSK9, FURIN TACR1 931/4885ALDH1A1 1484/4885TSHR 4281/4885
US-20150152093-A1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH IDH1, IDH3B, IDH3A TACR1 4008/4885ALDH1A1 275/4885TSHR 3637/4885
US-10112931-B2 3-pyrimidin-4-yl-oxazolidin-2-ones as inhibitors of mutant IDH IDH1, IDH3B, IDH3A TACR1 4008/4885ALDH1A1 275/4885TSHR 3637/4885

“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.