SCHEMBL4093394

SCHEMBL4093394

Cc1ccc(-c2cc3cc(C(=O)O)n(Cc4cccc(Cl)c4)c3s2)s1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 15/20 0.55
CCR9 P51686 1/20 0.46
PDE1B Q01064 1/20 0.42
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.40

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
SCHEMBL4098431 0.86 CCR2 (0.53) CCR2CCR9
SCHEMBL4092463 0.83 CCR2 (0.55) CCR2CCR9
SCHEMBL4098695 0.80 CCR2 (0.51) CCR2CCR9
SCHEMBL4086022 0.78 CCR2 (0.50) CCR2CCR9PDE1BKDM4EPTGDR2
SCHEMBL4096957 0.75 PTGES (0.52) CCR2PDE1BKDM4ELMNAGAA
SCHEMBL4086498 0.72 TP53 (0.46) CCR2CCR9
SCHEMBL4094156 0.71 PTGES (0.43) CCR2KDM4ELMNAHPGD
SCHEMBL3957310 0.71 CCR2 (1.00) CCR2CCR9
SCHEMBL4091859 0.71 KMT2A (0.47) CCR2KDM4ELMNAHPGD
SCHEMBL4097166 0.70 CCR9 (0.45) CCR2CCR9

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 2391/4885PDE1B 3812/4885

“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.