SCHEMBL13610261

SCHEMBL13610261

O=C(c1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)c1c(F)cccc1CO

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.58
CCR2 P41597 17/20 0.49
CYP3A4 P08684 2/20 0.49
KCNH2 Q12809 1/20 0.46

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
SCHEMBL10222645 0.90 CCR2 (0.59) CYP2C9CCR2CYP3A4
SCHEMBL307823 0.90 CYP2C9 (0.62) CYP2C9CCR2CYP3A4KCNH2
SCHEMBL10222654 0.88 CCR2 (0.52) CYP2C9CCR2CYP3A4
SCHEMBL10223343 0.87 CYP2C9 (0.59) CYP2C9CCR2CYP3A4KCNH2
SCHEMBL306013 0.86 CYP2C9 (0.58) CYP2C9CCR2CYP3A4KCNH2
SCHEMBL306856 0.86 CYP2C9 (0.58) CYP2C9CCR2CYP3A4
SCHEMBL15449682 0.85 CYP2C9 (0.64) CYP2C9CCR2CYP3A4
SCHEMBL10223171 0.84 CYP2C9 (0.63) CYP2C9CCR2CYP3A4
SCHEMBL10223317 0.84 CYP2C9 (0.54) CYP2C9CCR2CYP3A4KCNH2
SCHEMBL10222656 0.83 CCR2 (0.47) CYP2C9CCR2CYP3A4

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-7622583-B2 Heteroaryl sulfonamides and CCR2 CHEMOCENTRYX, INC. (US) 2009-11-24 US disclosed
US-20070037794-A1 4-((5-Chloro-3-(4-methyl-3-trifluoromethylbenzenesulfonylamino)pyridin-2-yl)-oxo-)1H-pyrrolo(2,3-)pyridine;interfere with ligand (monocyte chemoatactic protein-1) for chemokine receptors (CCR2); antiinflammatory agents; immunomodulators; bactericides; viricides; fungicides CHEMOCENTRYX, INC. 2007-02-15 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-20070037794-A1 4-((5-Chloro-3-(4-methyl-3-trifluoromethylbenzenesulfonylamino)pyridin-2-yl)-oxo-)1H-pyrrolo(2,3-)pyridine;interfere with ligand (monocyte chemoatactic protein-1) for chemokine receptors (CCR2); antiinflammatory agents; immunomodulators; bactericides; viricides; fungicides CCR2, CCR1, CCL2 CYP2C9 1187/4885CCR2 1/4885CYP3A4 1108/4885

“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.