SCHEMBL4101335

SCHEMBL4101335

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

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGES O14684 2/20 0.43
PPARD Q03181 2/20 0.39
CASR P41180 1/20 0.37
MAPT P10636 3/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
HSP90AA1 P07900 1/20 0.37
CRHBP P24387 1/20 0.37
KMT2A Q03164 1/20 0.37
CRHR2 Q13324 1/20 0.37
TP53 P04637 2/20 0.37
DHODH Q02127 1/20 0.37
MAOB P27338 1/20 0.37
MLYCD O95822 2/20 0.35
MCHR1 Q99705 1/20 0.35
POLB P06746 1/20 0.35
FAAH O00519 1/20 0.35
PTPN1 P18031 1/20 0.34
PPARA Q07869 1/20 0.34

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
SCHEMBL4096031 0.91 PTGES (0.43) PTGESPPARDCASRMAPTKDM4E
SCHEMBL4095101 0.89 PTGES (0.55) PTGESPPARDCASRMCHR1
SCHEMBL4090093 0.83 MAPT (0.41) PTGESMAPTKDM4ETP53MCHR1
SCHEMBL4097221 0.79 PTGES (0.55) PTGESPPARDCASR
SCHEMBL3009731 0.78 PTGES (0.52) PTGESPPARDMAPTTP53MAOB
SCHEMBL3571641 0.77 PTGES (0.53) PTGESPPARDMAPTKDM4EMEN1
SCHEMBL3568886 0.75 PTGES (0.51) PTGESPPARDMAPTKDM4ETP53
SCHEMBL4102319 0.75 KDM4E (0.46) MAPTKDM4ETP53PPARA
SCHEMBL3578959 0.73 PTGES (0.77) PTGESMAPTMEN1KMT2ATP53
SCHEMBL4228507 0.73 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 1381/4885CASR 4171/4885

“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.