SCHEMBL2116296

SCHEMBL2116296

CCC(C)OP(=O)(O)c1ccc2cc(-c3cccs3)cc(-c3cccc4ccccc34)c2n1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 1/20 0.33
ATM Q13315 1/20 0.33
PIM1 P11309 1/20 0.33
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
TP53 P04637 1/20 0.31
FDPS P14324 1/20 0.31
MAPT P10636 3/20 0.31
KDM4E B2RXH2 2/20 0.31
MEN1 O00255 2/20 0.31
ALDH1A1 P00352 2/20 0.31
KMT2A Q03164 2/20 0.31
HPGD P15428 1/20 0.31
GAA P10253 1/20 0.31
PDGFRB P09619 1/20 0.31
PDGFRA P16234 1/20 0.31
HPGDS O60760 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
TACR3 P29371 1/20 0.30

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
SCHEMBL2116390 0.84 PIK3CA (0.35) PPARGPPARAFDPSMAPTALDH1A1
SCHEMBL2116012 0.83 PIM1 (0.39) PIM1TP53MAPTKDM4EMEN1
SCHEMBL2116914 0.83 PPARG (0.37) PPARGPPARAFDPSKDM4EHPGD
SCHEMBL2117646 0.83 PPARG (0.32) PPARGPPARAFDPSTACR3DHODH
SCHEMBL2116715 0.83 PPARG (0.33) PPARGPPARAFDPSDHODH
SCHEMBL2115844 0.83 FDPS (0.34) PPARGPPARAFDPSKDM4EKMT2A
SCHEMBL2117123 0.83 FDPS (0.38) PPARGPPARAFDPSKDM4EKMT2A
SCHEMBL2118877 0.82 ITK (0.33) PIM1PPARGPPARAFDPSMAPT
SCHEMBL2116292 0.82 KDM4E (0.37) PSMB5ATMPIM1PPARGFDPS
SCHEMBL2119073 0.81 CNR1 (0.32) PPARGPPARAFDPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120094958-A1 QUINOLINES AS INHIBITORS OF FARNESYL PYROPHOSPHATE SYNTHASE NOVARTIS AG (CH) 2012-04-19 US disclosed
EP-2250152-A1 QUINOLINES AS INHIBITORS OF FARNESYL PYROPHOSPHATE SYNTHASE Novartis AG (CH) 2010-11-17 EP disclosed
WO-2009106586-A1 QUINOLINES AS INHIBITORS OF FARNESYL PYROPHOSPHATE SYNTHASE NOVARTIS AG (CH) 2009-09-03 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 (1 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-20120094958-A1 QUINOLINES AS INHIBITORS OF FARNESYL PYROPHOSPHATE SYNTHASE FDPS, GGPS1, CTPS1 PSMB5 2156/4885ATM 4311/4885PIM1 2265/4885

“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.