SCHEMBL4094387

SCHEMBL4094387

CC(C)Oc1ccc(-n2c(C(=O)O)cc3nc(Oc4cccc(Cl)c4)ccc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 2/20 0.47
HRH3 Q9Y5N1 1/20 0.40
MCHR1 Q99705 1/20 0.40
PPARG P37231 5/20 0.39
MCL1 Q07820 2/20 0.39
BCL2 P10415 1/20 0.39
MDM2 Q00987 1/20 0.39
CYP1A2 P05177 4/20 0.38
CYP2C19 P33261 3/20 0.38
ALDH1A1 P00352 3/20 0.38
CYP3A4 P08684 3/20 0.38
USP2 O75604 2/20 0.38
CYP2D6 P10635 2/20 0.38
TSHR P16473 2/20 0.38
CYP2C9 P11712 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
THRB P10828 1/20 0.36
TP53 P04637 1/20 0.36
ALOX15 P16050 1/20 0.36
NFKB1 P19838 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
SCHEMBL4224601 0.85 PTGES (0.58) PTGESPPARGMCL1BCL2MDM2
SCHEMBL4095050 0.84 PTGES (0.48) PTGESHRH3PPARGMCL1BCL2
SCHEMBL4090165 0.82 PPARG (0.42) PTGESHRH3PPARGMCL1BCL2
SCHEMBL4922695 0.79 PTGES (0.48) PTGESHRH3PPARGMCL1BCL2
SCHEMBL4918706 0.78 PTGES (0.64) PTGESMCL1BCL2MDM2ALDH1A1
SCHEMBL4923416 0.77 PTGES (0.60) PTGESHRH3MCL1BCL2MDM2
SCHEMBL4914078 0.76 PTGES (0.61) PTGESMCHR1PPARGMCL1BCL2
SCHEMBL4101567 0.76 MDM2 (0.43) HRH3PPARGMCL1BCL2MDM2
SCHEMBL4095879 0.75 PPARG (0.43) HRH3PPARGMCL1BCL2MDM2
SCHEMBL4095158 0.74 ADRB3 (0.38) HRH3PPARGALDH1A1TSHRTP53

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 47/4885HRH3 833/4885MCHR1 1028/4885

“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.