SCHEMBL4096957

SCHEMBL4096957

Cc1ccc(-c2cc3c(s2)c(I)c(C(=O)O)n3Cc2cccc(Cl)c2)s1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.52
CCR2 P41597 3/20 0.42
ERCC5 P28715 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.39
PDE1B Q01064 1/20 0.38
PLA2G2A P14555 2/20 0.38
KDM4E B2RXH2 2/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
PPARG P37231 1/20 0.37
MAPT P10636 4/20 0.37
PKM P14618 1/20 0.37
PKLR P30613 1/20 0.37
TP53 P04637 1/20 0.37
POLB P06746 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
SCHEMBL4086709 0.89 PTGES (0.47) PTGESPTGDR2PLA2G2AKDM4ELMNA
SCHEMBL4086716 0.81 PTGES (0.50) PTGESCCR2ERCC5PLA2G2AKDM4E
SCHEMBL4092463 0.79 CCR2 (0.55) PTGESCCR2MAPTTP53
SCHEMBL4093394 0.75 CCR2 (0.55) CCR2PTGDR2PDE1BKDM4ELMNA
SCHEMBL4098784 0.72 TP53 (0.46) PTGESPLA2G2AKDM4ELMNAHPGD
SCHEMBL4092414 0.72 PTGES (0.72) PTGESCCR2ERCC5PLA2G2AMAPT
SCHEMBL4086022 0.69 CCR2 (0.50) CCR2PTGDR2PDE1BKDM4EMAPT
SCHEMBL4093589 0.69 PTGES (1.00) PTGESCCR2ERCC5PPARG
SCHEMBL4086498 0.67 TP53 (0.46) CCR2MAPTTP53POLB
SCHEMBL18890618 0.67 TP53 (0.58) KDM4ELMNAHTTMAPTTP53

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-20090069384-A1 THIENOPYRROLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2009-03-12 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-20090069384-A1 THIENOPYRROLES USEFUL IN THE TREATMENT OF INFLAMMATION NPY5R, TH, PTGES PTGES 3/4885CCR2 1118/4885ERCC5 3540/4885

“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.