SCHEMBL2115844

SCHEMBL2115844

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

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.34
DHODH Q02127 1/20 0.33
PPARG P37231 3/20 0.33
PPARA Q07869 3/20 0.33
KDM4E B2RXH2 2/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TSPO P30536 1/20 0.32
AKR1C3 P42330 1/20 0.31
AKR1C2 P52895 1/20 0.31
GPR84 Q9NQS5 1/20 0.31
ALOX5 P09917 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
SCHEMBL2116914 0.89 PPARG (0.37) FDPSDHODHPPARGPPARAKDM4E
SCHEMBL2117123 0.88 FDPS (0.38) FDPSDHODHPPARGPPARAKDM4E
SCHEMBL2115926 0.85 MAPT (0.38) FDPSKDM4EKMT2AL3MBTL1ALOX5
SCHEMBL2116390 0.84 PIK3CA (0.35) FDPSDHODHPPARGPPARA
SCHEMBL2117646 0.83 PPARG (0.32) FDPSDHODHPPARGPPARA
SCHEMBL2116715 0.83 PPARG (0.33) FDPSDHODHPPARGPPARA
SCHEMBL2116296 0.83 PSMB5 (0.33) FDPSDHODHPPARGPPARAKDM4E
SCHEMBL2116767 0.82 DHODH (0.33) FDPSDHODHPPARGPPARAKDM4E
SCHEMBL2118877 0.82 ITK (0.33) FDPSDHODHPPARGPPARAKDM4E
SCHEMBL2116297 0.81 GPR84 (0.35) FDPSKDM4EKMT2AL3MBTL1GPR84

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 FDPS 1/4885DHODH 26/4885PPARG 1752/4885

“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.