SCHEMBL1336191

SCHEMBL1336191

COc1ccc(S(=O)(=O)NC(CCc2ccccc2Cl)C(=O)N2CCC(C)CC2)cc1

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR10 P46092 10/20 0.73
F2 P00734 3/20 0.54
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
HTT P42858 2/20 0.48
MMP1 P03956 1/20 0.47
MMP2 P08253 1/20 0.47
MMP3 P08254 1/20 0.47
MMP7 P09237 1/20 0.47
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47
MMP13 P45452 1/20 0.47
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL1338150 0.91 CCR10 (0.78) CCR10F2ALDH1A1
SCHEMBL1336196 0.91 CCR10 (0.81) CCR10F2ALDH1A1
SCHEMBL1337854 0.91 CCR10 (0.73) CCR10F2
SCHEMBL1338907 0.86 CCR10 (0.74) CCR10
SCHEMBL1338218 0.86 CCR10 (0.68) CCR10F2
SCHEMBL1335999 0.85 CCR10 (0.82) CCR10F2
SCHEMBL1337631 0.85 CCR10 (0.75) CCR10F2
SCHEMBL1338015 0.85 CCR10 (0.77) CCR10F2
SCHEMBL1338413 0.85 CCR10 (1.00) CCR10
SCHEMBL1336625 0.84 CCR10 (0.76) CCR10F2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8859814-B2 Alpha-substituted N-sulfonyl gylcine amides antagonists of CCR10, compositions containing the same and methods for using them BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-10-14 US disclosed
EP-2294051-B1 ALPHA-SUBSTITUTED N-SULFONYL GYLCINE AMIDES ANTAGONISTS OF CCR10, COMPOSITIONS CONTAINING THE SAME AND METHODS FOR USING THEM BOEHRINGER INGELHEIM INT (DE) 2014-08-13 EP disclosed
US-20110275612-A1 ALPHA-SUBSTITUTED N-SULFONYL GYLCINE AMIDES ANTAGONISTS OF CCR10, COMPOSITIONS CONTAINING THE SAME AND METHODS FOR USING THEM BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-10 US disclosed
US-20110275612-A1 ALPHA-SUBSTITUTED N-SULFONYL GYLCINE AMIDES ANTAGONISTS OF CCR10, COMPOSITIONS CONTAINING THE SAME AND METHODS FOR USING THEM BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-10 US disclosed
US-20110275612-A1 ALPHA-SUBSTITUTED N-SULFONYL GYLCINE AMIDES ANTAGONISTS OF CCR10, COMPOSITIONS CONTAINING THE SAME AND METHODS FOR USING THEM BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-10 US disclosed
WO-2009142984-A1 ALPHA-SUBSTITUTED N-SULFONYL GYLCINE AMIDES ANTAGONISTS OF CCR10, COMPOSITIONS CONTAINING THE SAME AND METHODS FOR USING THEM BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-11-26 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-20110275612-A1 ALPHA-SUBSTITUTED N-SULFONYL GYLCINE AMIDES ANTAGONISTS OF CCR10, COMPOSITIONS CONTAINING THE SAME AND METHODS FOR USING THEM CCR10, CCR1, CCR3 CCR10 1/4885F2 4516/4885CRHBP 1221/4885

“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.