SCHEMBL1336084

SCHEMBL1336084

Nc1c(Cl)cc(S(=O)(=O)N[C@H](CCc2ccccc2)C(=O)N2CC[C@H]3CCCC[C@H]3C2)cc1Cl

nearest known ligand 0.76

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CCR10 P46092 19/20 0.76
▸ MEN1 O00255 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ KMT2A Q03164 1/20 0.46

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
SCHEMBL1338329 1.00 CCR10 (0.76) CCR10MEN1ALDH1A1KMT2A
SCHEMBL12127010 1.00 CCR10 (0.76) CCR10MEN1ALDH1A1KMT2A
SCHEMBL12127043 1.00 CCR10 (0.76) CCR10MEN1ALDH1A1KMT2A
SCHEMBL1336082 1.00 CCR10 (0.76) CCR10MEN1ALDH1A1KMT2A
SCHEMBL1336091 1.00 CCR10 (0.76) CCR10MEN1ALDH1A1KMT2A
SCHEMBL1338327 1.00 CCR10 (0.76) CCR10MEN1ALDH1A1KMT2A
SCHEMBL12127051 1.00 CCR10 (0.76) CCR10MEN1ALDH1A1KMT2A
SCHEMBL1337144 0.86 CCR10 (1.00) CCR10
SCHEMBL15943456 0.86 CCR10 (0.79) CCR10ALDH1A1
SCHEMBL1338043 0.86 CCR10 (0.68) CCR10

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 4 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

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 1/4885MEN1 3439/4885ALDH1A1 2992/4885

“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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