SCHEMBL796367

SCHEMBL796367

COC(=O)c1ccc(COCC(F)(F)F)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.69
MAPT P10636 4/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2C19 P33261 1/20 0.57
LOXL2 Q9Y4K0 1/20 0.53
NPC1 O15118 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
KDM4E B2RXH2 1/20 0.50
GAA P10253 1/20 0.50
HPGD P15428 1/20 0.50
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CA12 O43570 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50

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
SCHEMBL979140 0.84 ALDH1A1 (0.51) ALDH1A1MAPTMEN1KMT2ALOXL2
SCHEMBL6665979 0.84 LOXL2 (0.66) ALDH1A1MAPTMEN1KMT2ACYP3A4
SCHEMBL12490368 0.83 LOXL2 (0.56) ALDH1A1MAPTMEN1KMT2ALOXL2
SCHEMBL795970 0.81 ALDH1A1 (1.00) ALDH1A1MAPTMEN1KMT2ACYP3A4
SCHEMBL850747 0.80 LOXL2 (0.59) ALDH1A1MAPTMEN1KMT2ALOXL2
SCHEMBL2412752 0.80 LOXL2 (0.59) ALDH1A1MAPTMEN1KMT2ACYP3A4
SCHEMBL10814960 0.78 LOXL2 (0.58) ALDH1A1MAPTMEN1KMT2ALOXL2
SCHEMBL9233919 0.78 TSHR (0.62) MAPTMEN1KMT2ALOXL2NPC1
SCHEMBL12295745 0.78 LOXL2 (0.58) ALDH1A1MAPTMEN1KMT2ALOXL2
SCHEMBL16422860 0.78 SCN9A (0.53) ALDH1A1MAPTMEN1KMT2ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2616465-B1 TRIAZINE-OXADIAZOLES NOVARTIS AG (CH) 2015-11-04 EP disclosed
US-20150025057-A1 Triazine-oxadiazoles NOVARTIS AG (CH) 2015-01-22 US disclosed
US-8895733-B2 Triazine-oxadiazoles NOVARTIS AG (CH) 2014-11-25 US disclosed
US-20140051676-A1 Triazine-oxadiazoles NOVARTIS AG (CH) 2014-02-20 US disclosed
EP-2616465-A1 TRIAZINE-OXADIAZOLES Novartis AG (CH) 2013-07-24 EP disclosed
WO-2012035023-A1 TRIAZINE-OXADIAZOLES NOVARTIS AG (CH) 2012-03-22 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-20150025057-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 ALDH1A1 439/4885MAPT 2602/4885MEN1 4842/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 ALDH1A1 439/4885MAPT 2602/4885MEN1 4842/4885

“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.