SCHEMBL4096031

SCHEMBL4096031

CCOC(=O)c1cc2c(-c3ccc(C(F)(F)F)cc3)nc(-c3ccc(C(F)(F)F)cc3)cc2n1-c1ccc(OC(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 2/20 0.43
PPARD Q03181 1/20 0.40
MLYCD O95822 2/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
HSP90AA1 P07900 1/20 0.38
CRHBP P24387 1/20 0.38
KMT2A Q03164 1/20 0.38
CRHR2 Q13324 1/20 0.38
DHODH Q02127 1/20 0.37
TP53 P04637 1/20 0.37
MAOB P27338 1/20 0.37
ALDH1A1 P00352 2/20 0.37
POLB P06746 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
BTK Q06187 1/20 0.37
MCL1 Q07820 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL4101335 0.91 PTGES (0.43) PTGESPPARDMLYCDMAPTKDM4E
SCHEMBL4097221 0.89 PTGES (0.55) PTGESPPARDBTKMCL1CASR
SCHEMBL4095101 0.79 PTGES (0.55) PTGESPPARDMCL1CASR
SCHEMBL3571641 0.79 PTGES (0.53) PTGESPPARDMLYCDMAPTKDM4E
SCHEMBL3009731 0.79 PTGES (0.52) PTGESPPARDMLYCDMAPTTP53
SCHEMBL3568886 0.77 PTGES (0.51) PTGESPPARDMLYCDMAPTKDM4E
SCHEMBL4102319 0.76 KDM4E (0.46) MAPTKDM4ETP53HTT
SCHEMBL4090093 0.74 MAPT (0.41) PTGESMAPTKDM4ETP53ALDH1A1
SCHEMBL3578959 0.74 PTGES (0.77) PTGESMAPTMEN1KMT2ATP53
SCHEMBL4228507 0.74 SCN9A (0.48) PTGES

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090048285-A1 Pyrrolopyridines Useful in the Treatment of Inflammation BIOLIPOX AB (SE) 2009-02-19 US 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-20090048285-A1 Pyrrolopyridines Useful in the Treatment of Inflammation PYCR1, ARG2, ARG1 PTGES 47/4885PPARD 1381/4885MLYCD 1119/4885

“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.