SCHEMBL4091277

SCHEMBL4091277

O=C(O)c1cc2sc(C#Cc3ccccc3)cc2n1Cc1cccc(C#Cc2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 10/20 0.47
GPR35 Q9HC97 1/20 0.45
MAPT P10636 2/20 0.41
THRB P10828 2/20 0.41
TP53 P04637 1/20 0.41
ABCB11 O95342 1/20 0.41
PLA2G10 O15496 1/20 0.38
PTGES O14684 1/20 0.38
CCR9 P51686 2/20 0.38

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
SCHEMBL4096233 0.91 CCR2 (0.57) CCR2GPR35MAPTABCB11CCR9
SCHEMBL4097557 0.91 CCR2 (0.47) CCR2GPR35MAPTTHRBABCB11
SCHEMBL4091073 0.83 CCR2 (0.38) CCR2GPR35MAPTABCB11CCR9
SCHEMBL4086732 0.79 MAPT (0.55) CCR2MAPTTHRBTP53
SCHEMBL4102959 0.78 MAPT (0.58) MAPTTHRBTP53PTGES
SCHEMBL4091077 0.70 FFAR1 (0.33)
SCHEMBL4097150 0.70 PTGES (0.47) CCR2MAPTTP53PTGES
SCHEMBL4093522 0.70 CCR2 (0.53) CCR2GPR35MAPTTHRBABCB11
SCHEMBL4097562 0.70 HNF4A (0.32) PTGES
SCHEMBL6433076 0.69 CCR2 (0.77) CCR2GPR35PLA2G10CCR9

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 1118/4885GPR35 1507/4885MAPT 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.