SCHEMBL273117

SCHEMBL273117

CCC(C)OP(=O)(O)Cc1ccc(NC(=O)C(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
EPHX2 P34913 3/20 0.40
PPARG P37231 1/20 0.40
NR1H4 Q96RI1 1/20 0.38
AR P10275 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
CYP3A4 P08684 2/20 0.38
ALDH1A1 P00352 2/20 0.38
CES2 O00748 1/20 0.38
ABCB11 O95342 1/20 0.38
LMNA P02545 1/20 0.38
GLA P06280 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
CHRM1 P11229 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
TBXA2R P21731 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
SCHEMBL273116 0.79 CYP1A2 (0.44) S1PR1CYP1A2CYP2C9CYP2C19EPHX2
SCHEMBL4070829 0.77 EPHX2 (0.40) EPHX2PPARGALDH1A1MAPK1
SCHEMBL274988 0.74 AR (0.51) S1PR1CYP1A2CYP2C9CYP2C19EPHX2
SCHEMBL29999042 0.74 AR (0.51) S1PR1CYP1A2CYP2C9CYP2C19EPHX2
SCHEMBL28023584 0.69 S1PR1 (0.49) S1PR1CYP1A2CYP2C9CYP2C19EPHX2
SCHEMBL28385389 0.68 CYP1A2 (0.42) CYP1A2CYP2C9CYP2C19EPHX2NR1H4
SCHEMBL28385415 0.68 CYP1A2 (0.42) CYP1A2CYP2C9CYP2C19EPHX2NR1H4
SCHEMBL4936391 0.68 CYP1A2 (0.47) S1PR1CYP1A2CYP2C9CYP2C19EPHX2
SCHEMBL3182950 0.68 RET (0.63) CYP3A4MAPK1HTT
SCHEMBL4937157 0.67 KIT (0.52)

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 S1PR1 1419/4885CYP1A2 3937/4885CYP2C9 3712/4885
US-20100075980-A1 Phenylacetamides being FLT3 Inhibitors FLT3, JAK2, ABL1 S1PR1 2415/4885CYP1A2 1711/4885CYP2C9 717/4885
US-20120122857-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES MAP3K20, PHKG1, PHKG2 S1PR1 3357/4885CYP1A2 3257/4885CYP2C9 3940/4885

“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.