SCHEMBL9933559

SCHEMBL9933559

Cc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2[S+](C)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 7/20 0.72
ALDH1A1 P00352 7/20 0.51
PKM P14618 1/20 0.51
KDM4E B2RXH2 1/20 0.48
SLC10A2 Q12908 1/20 0.47
SLC10A1 Q14973 1/20 0.47
SLC10A6 Q3KNW5 1/20 0.47
CCKBR P32239 1/20 0.46
IDH1 O75874 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
MCL1 Q07820 1/20 0.45
HTT P42858 1/20 0.45
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
MAPT P10636 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL7593916 0.86 CCR2 (0.78) CCR2ALDH1A1PKMKDM4ESLC10A2
SCHEMBL9934115 0.85 CCR2 (0.74) CCR2SLC10A2SLC10A1SLC10A6
SCHEMBL9933954 0.84 CCR2 (1.00) CCR2ALDH1A1PKMKDM4ESLC10A2
SCHEMBL10187837 0.84 CCR2 (0.63) CCR2
SCHEMBL9934803 0.82 CCR2 (0.64) CCR2ALDH1A1PKMMEN1KMT2A
SCHEMBL9933943 0.81 CCR2 (0.64) CCR2ALDH1A1LMNA
SCHEMBL9934879 0.81 CCR2 (1.00) CCR2ALDH1A1PKMKDM4ESLC10A2
SCHEMBL9933477 0.79 CCR2 (0.61) CCR2ALDH1A1MAPT
SCHEMBL5227535 0.78 ALDH1A1 (0.69) CCR2ALDH1A1PKMKDM4EIDH1
SCHEMBL9933732 0.78 CCR2 (0.56) CCR2ALDH1A1HTTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3050873-B1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN INC (US) 2017-09-13 EP claimed
EP-3050873-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2016-08-03 EP claimed
EP-2651893-B1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN INC (US) 2016-03-30 EP 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-10287243-B2 Sulfur derivatives as chemokine receptor modulators ALLERGAN, INC. (US) 2019-05-14 US disclosed
EP-3050873-B1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN INC (US) 2017-09-13 EP disclosed
EP-3050873-B1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN INC (US) 2017-09-13 EP disclosed
US-9663460-B2 Sulfur derivatives as chemokine receptor modulators ALLERGAN, INC. (US) 2017-05-30 US disclosed
US-9663460-B2 Sulfur derivatives as chemokine receptor modulators ALLERGAN, INC. (US) 2017-05-30 US disclosed
US-8450367-B2 Sulfur derivatives as chemokine receptor modulators ALLERGAN, INC. (US) 2013-05-28 US disclosed
US-8450367-B2 Sulfur derivatives as chemokine receptor modulators ALLERGAN, INC. (US) 2013-05-28 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20120157487-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS CX3CR1, CXCR2, CCR2 CCR2 3/4885ALDH1A1 2553/4885PKM 3100/4885
US-20130237552-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS CX3CR1, CXCR2, CCR2 CCR2 3/4885ALDH1A1 2553/4885PKM 3100/4885
US-10287243-B2 Sulfur derivatives as chemokine receptor modulators CX3CR1, CXCR2, CCR2 CCR2 3/4885ALDH1A1 2553/4885PKM 3100/4885
US-11046644-B2 Sulfur derivatives as chemokine receptor modulators CX3CR1, CXCR2, CCR2 CCR2 3/4885ALDH1A1 2553/4885PKM 3100/4885

“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.