SCHEMBL4086016

SCHEMBL4086016

Cc1c(C#Cc2ccccc2)sc2cc(C(=O)O)n(Cc3cccc(Cl)c3)c12

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 9/20 0.49
MAPT P10636 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CCR9 P51686 1/20 0.40
ATM Q13315 1/20 0.39
PTGES O14684 2/20 0.38
ALOX5 P09917 1/20 0.38
PTGER4 P35408 1/20 0.38
PTGDR Q13258 1/20 0.38
SIGMAR1 Q99720 1/20 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 0.79 CCR2 (0.57) CCR2MAPTCCR9
SCHEMBL4086022 0.77 CCR2 (0.50) CCR2MAPTCCR9PTGER4PTGDR
SCHEMBL4097358 0.74 CCR2 (0.44) CCR2MAPTCCR9PTGESPTGER4
SCHEMBL4086732 0.72 MAPT (0.55) CCR2MAPTALDH1A1ATM
SCHEMBL4086613 0.70 MAPT (0.50) MAPTALDH1A1ATMALOX5
SCHEMBL4091277 0.70 CCR2 (0.47) CCR2MAPTCCR9PTGES
SCHEMBL4092463 0.69 CCR2 (0.55) CCR2MAPTCCR9PTGES
SCHEMBL4097150 0.67 PTGES (0.47) CCR2MAPTALDH1A1PTGESALOX5
SCHEMBL4104997 0.67 CCR2 (0.53) CCR2MAPTCCR9PTGES
SCHEMBL4097557 0.67 CCR2 (0.47) CCR2MAPTCCR9PTGESALOX5

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 1118/4885MAPT 54/4885ALDH1A1 2718/4885

“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.