SCHEMBL4097358

SCHEMBL4097358

Cc1c(-c2ccc(OC(C)C)cc2)sc2cc(C(=O)O)n(Cc3cccc(Cl)c3)c12

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 6/20 0.44
PTGES O14684 1/20 0.43
P2RX3 P56373 2/20 0.41
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CCR9 P51686 1/20 0.38
PTGER4 P35408 1/20 0.38
PTGDR Q13258 1/20 0.38
MAPT P10636 1/20 0.37
PLA2G2A P14555 1/20 0.37
PPARD Q03181 1/20 0.37
PPARG P37231 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
SCHEMBL4086022 0.82 CCR2 (0.50) CCR2CCR9PTGER4PTGDRMAPT
SCHEMBL4098695 0.80 CCR2 (0.51) CCR2PTGESP2RX3CCR9
SCHEMBL5750477 0.77 CCR2 (0.62) CCR2PTGESCCR9
SCHEMBL4086016 0.74 CCR2 (0.49) CCR2PTGESCCR9PTGER4PTGDR
SCHEMBL4094156 0.72 PTGES (0.43) CCR2PTGESP2RX3LMNAMAPT
SCHEMBL6091132 0.70 PTGES (0.55) CCR2PTGESP2RX3
SCHEMBL4086613 0.69 MAPT (0.50) LMNAMAPT
SCHEMBL6093568 0.69 PTGES (0.54) CCR2PTGESP2RX3
SCHEMBL5738720 0.69 NOD2 (0.49) CCR2PTGESP2RX3MAPTPLA2G2A
SCHEMBL6091214 0.69 PTGES (0.51) CCR2PTGESP2RX3PTGER4PTGDR

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 1118/4885PTGES 3/4885P2RX3 385/4885

“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.