SCHEMBL1895438

SCHEMBL1895438

CCN([C@H](C)c1nc2ccccc2c(=O)n1-c1ccc(OCC(F)(F)F)cc1)S(=O)(=O)CC

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 19/20 0.53
KCNH2 Q12809 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47

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
SCHEMBL5578700 1.00 CXCR3 (0.53) CXCR3KCNH2HRH3
SCHEMBL1888477 0.90 CXCR3 (0.56) CXCR3KCNH2HRH3
SCHEMBL5577398 0.90 CXCR3 (0.56) CXCR3KCNH2HRH3
SCHEMBL1894541 0.89 CXCR3 (0.58) CXCR3
SCHEMBL12659747 0.82 HRH3 (0.54) CXCR3KCNH2HRH3
SCHEMBL1895439 0.79 PIK3CD (0.48) CXCR3KCNH2HRH3
SCHEMBL1895441 0.79 PIK3CD (0.48) CXCR3KCNH2HRH3
SCHEMBL12659732 0.78 PIK3CD (0.48) CXCR3KCNH2HRH3
SCHEMBL5578377 0.77 KCNH2 (0.49) CXCR3KCNH2HRH3
SCHEMBL12672676 0.76 PIK3CD (0.50) CXCR3KCNH2HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7939538-B2 Compounds, compositions and methods for prevention and treatment of inflammatory and immunoregulatory disorders and diseases AMGEN INC. (US) 2011-05-10 US disclosed
US-20060069099-A1 Compounds, compositions and methods for prevention and treatment of inflammatory and immunoregulatory disorders and diseases AMGEN SF, LLC 2006-03-30 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-20060069099-A1 Compounds, compositions and methods for prevention and treatment of inflammatory and immunoregulatory disorders and diseases MSR1, TNF, HLA-DRB1 CXCR3 85/4885KCNH2 3460/4885HRH3 375/4885

“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.