SCHEMBL9930608

SCHEMBL9930608

COc1ccc(C(=O)O)cc1S(=O)(=O)Nc1cc(Cl)c(Cl)cc1NS(=O)(=O)c1cccs1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.57
ACLY P53396 3/20 0.56
CCR2 P41597 7/20 0.55
FABP4 P15090 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
GAA P10253 1/20 0.53
POLB P06746 1/20 0.53
ALDH1A1 P00352 1/20 0.52
USP2 O75604 1/20 0.52
ERAP2 Q6P179 1/20 0.52
ERAP1 Q9NZ08 1/20 0.52
NPSR1 Q6W5P4 1/20 0.51

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
SCHEMBL9930357 0.92 CCR2 (0.55) ACLYCCR2SMN1; SMN2ALDH1A1
SCHEMBL9931226 0.87 CCR2 (0.61) ACLYCCR2POLB
SCHEMBL9931411 0.86 CCR2 (0.58) CCR2SMN1; SMN2
SCHEMBL9930912 0.85 SMN1; SMN2 (0.71) CCR2SMN1; SMN2GAAALDH1A1NPSR1
SCHEMBL9931086 0.84 CCR2 (0.70) ACLYCCR2SMN1; SMN2
SCHEMBL9931292 0.84 CCR2 (0.69) CCR2SMN1; SMN2ALDH1A1
SCHEMBL9930806 0.82 CCR2 (0.64) CCR2SMN1; SMN2POLBALDH1A1
SCHEMBL9973046 0.81 SMN1; SMN2 (0.58) CCR2SMN1; SMN2ALDH1A1NPSR1
SCHEMBL9973045 0.80 CCR2 (0.56) ACLYCCR2SMN1; SMN2ALDH1A1USP2
SCHEMBL9930488 0.80 CCR2 (0.72) CCR2

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2955173-B1 1,2-BIS-SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN INC (US) 2017-10-04 EP claimed
US-9603834-B2 1,2- bis-sulfonamide derivatives as chemokine receptor modulators ALLERGAN, INC. (US) 2017-03-28 US claimed
US-20160228407-A1 NOVEL 1,2- BIS-SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. 2016-08-11 US claimed
EP-2955173-A1 NOVEL 1,2-BIS-SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2015-12-16 EP claimed
EP-2651901-B1 NOVEL 1,2- BIS-SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN INC (US) 2015-05-27 EP claimed
US-20140221351-A1 NOVEL 1,2- BIS-SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2014-08-07 US claimed
EP-2651901-A1 NOVEL 1,2- BIS-SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS Allergan, Inc. (US) 2013-10-23 EP claimed
WO-2012082633-A1 NOVEL 1,2- BIS-SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-21 WO claimed
US-20120157444-A1 NOVEL 1,2- BIS-SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-21 US claimed
EP-2955173-B1 1,2-BIS-SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN INC (US) 2017-10-04 EP disclosed
EP-2955173-B1 1,2-BIS-SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN INC (US) 2017-10-04 EP disclosed
US-9603834-B2 1,2- bis-sulfonamide derivatives as chemokine receptor modulators ALLERGAN, INC. (US) 2017-03-28 US disclosed
US-9603834-B2 1,2- bis-sulfonamide derivatives as chemokine receptor modulators ALLERGAN, INC. (US) 2017-03-28 US disclosed
US-20160228407-A1 NOVEL 1,2- BIS-SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. 2016-08-11 US disclosed
US-8580779-B2 1,2-bis-sulfonamide derivatives as chemokine receptor modulators ALLERGAN, INC. (US) 2013-11-12 US disclosed
EP-2651901-A1 NOVEL 1,2- BIS-SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS Allergan, Inc. (US) 2013-10-23 EP disclosed
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
WO-2012082633-A1 NOVEL 1,2- BIS-SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-21 WO disclosed
US-20120157444-A1 NOVEL 1,2- BIS-SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-21 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 (3 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-20160228407-A1 NOVEL 1,2- BIS-SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS CXCR2, CCR2, CX3CR1 TDP1 4719/4885ACLY 4069/4885CCR2 2/4885
US-20140221351-A1 NOVEL 1,2- BIS-SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS CXCR2, CCR2, CX3CR1 TDP1 4719/4885ACLY 4069/4885CCR2 2/4885
US-20120157444-A1 NOVEL 1,2- BIS-SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS CXCR2, CCR2, CX3CR1 TDP1 4719/4885ACLY 4069/4885CCR2 2/4885

“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.