SCHEMBL1720537

SCHEMBL1720537

Cn1c(-c2ccc(C(F)(F)F)nc2)nc(I)c1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.42
PIK3CD O00329 2/20 0.41
PTGS1 P23219 2/20 0.41
PIK3R1 P27986 1/20 0.40
KCNH2 Q12809 2/20 0.39
MAP4K4 O95819 1/20 0.39
PIK3CA P42336 1/20 0.39
MINK1 Q8N4C8 1/20 0.39
PI4KB Q9UBF8 1/20 0.39

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
SCHEMBL1719231 0.82 ALDH1A1 (0.40)
SCHEMBL1719257 0.81 PTGS2 (0.44) PTGS2PIK3CDPTGS1PIK3R1KCNH2
SCHEMBL1719849 0.78 PIK3CD (0.44) PIK3CDPIK3R1KCNH2
SCHEMBL1719263 0.76 RXRA (0.43) PTGS1
SCHEMBL1719467 0.76 TDP2 (0.42)
SCHEMBL1719970 0.75 ALDH1A1 (0.50) PTGS2
SCHEMBL1719868 0.71 KMO (0.47)
SCHEMBL2340910 0.70 RXRA (0.53) MAP4K4
SCHEMBL1720088 0.70 DHODH (0.44)
SCHEMBL28846636 0.68 ALDH1A1 (0.41)

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101687844-B Imidazole derivatives as CCR2 receptor antagonists HOFFMANN LA ROCHE 2013-11-13 CN disclosed
EP-2173735-B1 IMIDAZOLE DERIVATIVES AS CCR2 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2012-01-11 EP disclosed
US-7935707-B2 Imidazole derivatives HOFFMAN-LA ROCHE INC. (US) 2011-05-03 US disclosed
CN-101687844-A Imidazole derivatives as CCR2 receptor antagonists HOFFMANN LA ROCHE 2010-03-31 CN disclosed
US-20090012063-A1 Novel imidazole derivatives HOFFMANN-LA ROCHE, INC. 2009-01-08 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-20090012063-A1 Novel imidazole derivatives CCR2, CCR1, CCR3 PTGS2 918/4885PIK3CD 3923/4885PTGS1 1035/4885

“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.