SCHEMBL273116

SCHEMBL273116

CCOP(=O)(Cc1ccc(NC(=O)C(F)(F)F)cc1C(F)(F)F)OCC

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
S1PR1 P21453 1/20 0.43
EGFR P00533 1/20 0.41
EPHX2 P34913 2/20 0.41
NR1H4 Q96RI1 1/20 0.41
PPARG P37231 1/20 0.41
AR P10275 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPY5R Q15761 1/20 0.40
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PGR P06401 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL273117 0.79 S1PR1 (0.40) CYP1A2CYP2C9CYP2C19S1PR1EPHX2
SCHEMBL29616472 0.77 POLQ (0.44) CYP2C9CYP2C19EGFREPHX2GAA
SCHEMBL23148999 0.77 POLQ (0.44) CYP2C9CYP2C19EGFREPHX2GAA
SCHEMBL24357851 0.76 LMNA (0.38) EGFREPHX2GAA
SCHEMBL274988 0.75 AR (0.51) CYP1A2CYP2C9CYP2C19S1PR1EPHX2
SCHEMBL29999042 0.75 AR (0.51) CYP1A2CYP2C9CYP2C19S1PR1EPHX2
SCHEMBL28023584 0.73 S1PR1 (0.49) CYP1A2CYP2C9CYP2C19S1PR1EPHX2
SCHEMBL11206400 0.73 EGFR (0.34) EGFREPHX2L3MBTL1
SCHEMBL6690488 0.72 CYP1A2 (0.60) CYP1A2CYP2C9CYP2C19S1PR1EPHX2
SCHEMBL30476348 0.72 IDO1 (0.45) EPHX2PPARG

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-20120122857-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES NOVARTIS AG (CH) 2012-05-17 US disclosed
US-8133886-B2 Heterobicyclic carboxamides as inhibitors for kinases NOVARTIS AG (CH) 2012-03-13 US disclosed
EP-2371822-A1 Heterobicyclic carboxamides as inhibitors for kinases Novartis AG (CH) 2011-10-05 EP disclosed
US-7977338-B2 Phenylacetamides being FLT3 inhibitors NOVARTIS AG (CH) 2011-07-12 US disclosed
US-20100075980-A1 Phenylacetamides being FLT3 Inhibitors NOVARTIS AG (CH) 2010-03-25 US disclosed
US-20100029626-A1 Cyclic sulfones useful as mitochondrial sodium-calcium exchangers NOVARTIS AG (CH) 2010-02-04 US disclosed
EP-2074125-A1 PHENYLACETAMIDES USEFUL AS PROTEIN KINASE INHIBITORS Novartis Ag (CH) 2009-07-01 EP disclosed
WO-2008046802-A1 PHENYLACETAMIDES USEFUL AS PROTEIN KINASE INHIBITORS NOVARTIS AG (CH) 2008-04-24 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 (3 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-20100029626-A1 Cyclic sulfones useful as mitochondrial sodium-calcium exchangers SLC8B1, MCU, GLS CYP1A2 3937/4885CYP2C9 3712/4885CYP2C19 3194/4885
US-20100075980-A1 Phenylacetamides being FLT3 Inhibitors FLT3, JAK2, ABL1 CYP1A2 1711/4885CYP2C9 717/4885CYP2C19 827/4885
US-20120122857-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES MAP3K20, PHKG1, PHKG2 CYP1A2 3257/4885CYP2C9 3940/4885CYP2C19 3148/4885

“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.