SCHEMBL1038027

SCHEMBL1038027

CC(C)n1c(Cl)nnc1-c1ncc(Cl)cc1NNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 15/20 0.44
CYP2C9 P11712 2/20 0.40
TSHR P16473 1/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL1037636 0.91 CCR2 (0.52) CCR2CYP2C9TSHR
SCHEMBL12956107 0.83 CCR2 (0.52) CCR2CYP2C9
SCHEMBL1036938 0.82 CCR2 (0.51) CCR2CYP2C9
SCHEMBL1033968 0.82 CCR2 (0.51) CCR2CYP2C9
SCHEMBL12955805 0.82 CCR2 (0.51) CCR2CYP2C9
SCHEMBL3944001 0.81 CCR2 (0.50) CCR2CYP2C9
SCHEMBL1040059 0.80 CCR2 (0.49) CCR2CYP2C9
SCHEMBL1037427 0.80 CCR2 (0.49) CCR2CYP2C9
SCHEMBL1034894 0.80 CYP2C9 (0.49) CCR2CYP2C9
SCHEMBL13317629 0.79 CCR2 (0.47) CCR2CYP2C9

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
US-8445518-B2 Triazolyl pyridyl benzenesulfonamides CHEMOCENTRYX, INC. (US) 2013-05-21 US disclosed
EP-2049515-B1 TRIAZOLYL PYRIDYL BENZENESULFONAMIDES AS CCR2 OR CCR9 MODULATORS FOR THE TREATMENT OF ATHEROSCLEROSIS CHEMOCENTRYX INC (US) 2011-01-26 EP disclosed
US-20100152186-A1 TRIAZOLYL PYRIDYL BENZENESULFONAMIDES CHEMOCENTRYX, INC. (US) 2010-06-17 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 (2 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 CCR2 2/4885CYP2C9 369/4885TSHR 898/4885
US-20100152186-A1 TRIAZOLYL PYRIDYL BENZENESULFONAMIDES CCR9, CCR2, CCR1 CCR2 2/4885CYP2C9 369/4885TSHR 898/4885

“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.