SCHEMBL1338022

SCHEMBL1338022

O=C([C@@H](CCc1ccccc1)NS(=O)(=O)c1c(Cl)cccc1Cl)N1CCC(C(F)(F)F)CC1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CCR10 P46092 5/20 0.57
▸ F2 P00734 2/20 0.48
▸ MMP7 P09237 1/20 0.46
▸ ITGAV P06756 1/20 0.44
▸ LMNA P02545 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ CCKBR P32239 1/20 0.42
▸ CCR1 P32246 2/20 0.41
▸ ST14 Q9Y5Y6 3/20 0.41
▸ PLG P00747 2/20 0.41
▸ PLAU P00749 2/20 0.41
▸ F10 P00742 1/20 0.41
▸ PSMB5 P28074 1/20 0.39
▸ STS P08842 1/20 0.39
▸ HPN P05981 1/20 0.39
▸ HGFAC Q04756 1/20 0.39

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
SCHEMBL1338298 0.87 CCR10 (0.73) CCR10F2LMNAPKMPLG
SCHEMBL1342172 0.87 CCR10 (0.73) CCR10F2LMNAPKMPLG
SCHEMBL1337879 0.85 CCR10 (0.79) CCR10F2MMP7
SCHEMBL1338919 0.82 CCR10 (0.69) CCR10F2CCKBRPLGPLAU
SCHEMBL1313955 0.79 CCR10 (0.78) CCR10
SCHEMBL1337084 0.79 KMT2A (0.51) CCR10F2LMNAPKMF10
SCHEMBL1338383 0.78 CCR10 (0.73) CCR10F2PLAUF10
SCHEMBL1338629 0.75 CCR10 (0.73) CCR10F2PLGPLAUF10
SCHEMBL1035355 0.74 CCR10 (0.72) CCR10
SCHEMBL1336629 0.73 CCR10 (0.67) CCR10F2CCKBRPLGPLAU

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 7 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
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 4516/4885MMP7 3299/4885

“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.

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