SCHEMBL4092463

SCHEMBL4092463

Cc1ccc(-c2cc3c(cc(C(=O)O)n3Cc3cccc(Cl)c3)s2)s1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 13/20 0.55
CCR9 P51686 1/20 0.46
MAPT P10636 2/20 0.45
TP53 P04637 1/20 0.45
THRB P10828 1/20 0.45
ABCB11 O95342 1/20 0.43
PTGES O14684 1/20 0.42

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
SCHEMBL4086498 0.88 TP53 (0.46) CCR2CCR9MAPTTP53THRB
SCHEMBL4097166 0.87 CCR9 (0.45) CCR2CCR9MAPTTP53THRB
SCHEMBL4104997 0.86 CCR2 (0.53) CCR2CCR9MAPTTP53THRB
SCHEMBL4093394 0.83 CCR2 (0.55) CCR2CCR9
SCHEMBL4086022 0.82 CCR2 (0.50) CCR2CCR9MAPT
SCHEMBL4093856 0.80 CCR2 (0.38) CCR2CCR9MAPTTP53THRB
SCHEMBL4096957 0.79 PTGES (0.52) CCR2MAPTTP53PTGES
SCHEMBL4097147 0.79 CCR2 (0.52) CCR2CCR9ABCB11PTGES
SCHEMBL4096233 0.75 CCR2 (0.57) CCR2CCR9MAPTABCB11
SCHEMBL4093522 0.74 CCR2 (0.53) CCR2CCR9MAPTTHRBABCB11

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 CCR2 1118/4885CCR9 2391/4885MAPT 54/4885

“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.