SCHEMBL9935336

SCHEMBL9935336

C[S+]([O-])c1ccc(Cl)cc1NS(=O)(=O)c1cccc(Cl)c1F

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 10/20 0.70
PTGES2 Q9H7Z7 3/20 0.52
ACLY P53396 1/20 0.49
SLC40A1 Q9NP59 1/20 0.47
BRD4 O60885 1/20 0.44
MCL1 Q07820 1/20 0.44
ALDH1A1 P00352 1/20 0.42
KIT P10721 1/20 0.42
CCR4 P51679 1/20 0.42

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
SCHEMBL9935090 0.84 CCR2 (0.67) CCR2SLC40A1
SCHEMBL9933923 0.83 CCR2 (1.00) CCR2PTGES2ACLYSLC40A1
SCHEMBL9934374 0.81 CCR2 (0.69) CCR2ACLYSLC40A1
SCHEMBL28289814 0.79 CCR2 (0.53) CCR2PTGES2ACLY
SCHEMBL9934413 0.78 CCR2 (1.00) CCR2PTGES2ACLYSLC40A1
SCHEMBL9933943 0.78 CCR2 (0.64) CCR2ALDH1A1
SCHEMBL9933732 0.77 CCR2 (0.56) CCR2ALDH1A1
SCHEMBL9933477 0.76 CCR2 (0.61) CCR2PTGES2ALDH1A1CCR4
SCHEMBL9934803 0.74 CCR2 (0.64) CCR2ALDH1A1
SCHEMBL27943751 0.74 CCR2 (0.63) CCR2PTGES2ACLYSLC40A1BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11046644-B2 Sulfur derivatives as chemokine receptor modulators ALLERGAN, INC. (US) 2021-06-29 US claimed
US-20200109110-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN INC (US) 2020-04-09 US claimed
EP-2651893-B1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN INC (US) 2016-03-30 EP claimed
US-20160083342-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. 2016-03-24 US claimed
CN-103380115-A Sulfur derivatives as chemokine receptor modulators ALLERGAN INC 2013-10-30 CN claimed
EP-2651893-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS Allergan, Inc. (US) 2013-10-23 EP claimed
US-20130237552-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2013-09-12 US claimed
US-20120157487-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-21 US claimed
WO-2012082566-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-21 WO claimed
US-11046644-B2 Sulfur derivatives as chemokine receptor modulators ALLERGAN, INC. (US) 2021-06-29 US disclosed
US-11046644-B2 Sulfur derivatives as chemokine receptor modulators ALLERGAN, INC. (US) 2021-06-29 US disclosed
US-20200109110-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN INC (US) 2020-04-09 US disclosed
US-10287243-B2 Sulfur derivatives as chemokine receptor modulators ALLERGAN, INC. (US) 2019-05-14 US disclosed
US-10287243-B2 Sulfur derivatives as chemokine receptor modulators ALLERGAN, INC. (US) 2019-05-14 US disclosed
US-8450367-B2 Sulfur derivatives as chemokine receptor modulators ALLERGAN, INC. (US) 2013-05-28 US disclosed
US-20120157487-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-21 US disclosed
US-20120157487-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-21 US disclosed
US-20120157487-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-21 US disclosed
WO-2012082566-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-21 WO disclosed
WO-2012082566-A1 SULFUR 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 (6 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-20160083342-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS CX3CR1, CXCR2, CCR2 CCR2 3/4885PTGES2 364/4885ACLY 3533/4885
US-20120157487-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS CX3CR1, CXCR2, CCR2 CCR2 3/4885PTGES2 364/4885ACLY 3533/4885
US-20130237552-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS CX3CR1, CXCR2, CCR2 CCR2 3/4885PTGES2 364/4885ACLY 3533/4885
US-20200109110-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS CX3CR1, CXCR2, CCR2 CCR2 3/4885PTGES2 364/4885ACLY 3533/4885
US-10287243-B2 Sulfur derivatives as chemokine receptor modulators CX3CR1, CXCR2, CCR2 CCR2 3/4885PTGES2 364/4885ACLY 3533/4885
US-11046644-B2 Sulfur derivatives as chemokine receptor modulators CX3CR1, CXCR2, CCR2 CCR2 3/4885PTGES2 364/4885ACLY 3533/4885

“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.