SCHEMBL9968045

SCHEMBL9968045

COOCc1sc(Cl)cc1S(=O)(=O)Nc1cc(Cl)c(Cl)cc1NS(=O)(=O)c1cccs1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 16/20 0.54
BRAF P15056 1/20 0.45
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL9973035 0.80 CCR2 (0.63) CCR2BRAF
SCHEMBL9930920 0.80 CCR2 (0.66) CCR2BRAF
SCHEMBL9930727 0.79 CCR2 (0.57) CCR2BRAFALDH1A1SMN1; SMN2
SCHEMBL9967890 0.77 CCR2 (0.51) CCR2BRAFALDH1A1SMN1; SMN2
SCHEMBL15477862 0.75 CCR2 (0.60) CCR2BRAF
SCHEMBL16747603 0.75 CCR2 (0.66) CCR2BRAFALDH1A1SMN1; SMN2
SCHEMBL9931292 0.75 CCR2 (0.69) CCR2BRAFALDH1A1SMN1; SMN2
SCHEMBL9930936 0.74 CCR2 (0.67) CCR2BRAF
SCHEMBL9930374 0.74 CCR2 (0.79) CCR2BRAF
SCHEMBL9931076 0.74 CCR2 (0.67) CCR2BRAFALDH1A1

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-20120157444-A1 NOVEL 1,2- BIS-SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-21 US disclosed
WO-2012082633-A1 NOVEL 1,2- BIS-SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-21 WO 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-20120157444-A1 NOVEL 1,2- BIS-SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS CXCR2, CCR2, CX3CR1 CCR2 2/4885BRAF 1188/4885ALDH1A1 2379/4885

“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.