SCHEMBL13436623

SCHEMBL13436623

CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1n1cnnc1-c1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.40
CCR2 P41597 17/20 0.40
KCNH2 Q12809 1/20 0.40
CYP3A4 P08684 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
SCHEMBL13317634 1.00 CYP2C9 (0.40) CYP2C9CCR2KCNH2CYP3A4
SCHEMBL13350196 1.00 CYP2C9 (0.40) CYP2C9CCR2KCNH2CYP3A4
SCHEMBL1039153 1.00 CYP2C9 (0.40) CYP2C9CCR2KCNH2CYP3A4
SCHEMBL1038283 0.84 CCR2 (0.43) CYP2C9CCR2KCNH2
SCHEMBL1034035 0.84 CCR2 (0.43) CYP2C9CCR2KCNH2
SCHEMBL1034036 0.84 CCR2 (0.43) CYP2C9CCR2KCNH2
SCHEMBL13317635 0.84 CCR2 (0.43) CYP2C9CCR2KCNH2
SCHEMBL12955789 0.84 CCR2 (0.43) CYP2C9CCR2KCNH2
SCHEMBL12955912 0.83 CCR2 (0.40) CYP2C9CCR2KCNH2
SCHEMBL12955787 0.78 GPR119 (0.37) CCR2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8445518-B2 Triazolyl pyridyl benzenesulfonamides CHEMOCENTRYX, INC. (US) 2013-05-21 US disclosed
US-7683176-B2 Triazolyl pyridyl benzenesulfonamides CHEMOCENTRYX, INC. (US) 2010-03-23 US disclosed
US-20080039504-A1 TRIAZOLYL PYRIDYL BENZENESULFONAMIDES CHEMOCENTRYX, INC. 2008-02-14 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-20080039504-A1 TRIAZOLYL PYRIDYL BENZENESULFONAMIDES CCR9, CCR2, CCR1 CYP2C9 369/4885CCR2 2/4885KCNH2 4250/4885

“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.