SCHEMBL1075035

SCHEMBL1075035

Nc1cc(Cl)cc(Cl)c1S(=O)(=O)NC(CCn1ccnc1[N+](=O)[O-])C(=O)N1CCc2ccccc2C1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CCR10 P46092 13/20 0.56
▸ NR3C1 P04150 1/20 0.40
▸ NR3C2 P08235 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.39
▸ GAA P10253 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ F10 P00742 1/20 0.38

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
SCHEMBL1312078 0.95 CCR10 (0.55) CCR10CYP3A4HDAC8GAAMEN1
SCHEMBL1074363 0.90 CCR10 (0.54) CCR10NR3C1NR3C2CYP3A4HDAC8
SCHEMBL1311486 0.89 CCR10 (0.55) CCR10CYP3A4GAAMEN1USP2
SCHEMBL13665881 0.88 CCR10 (0.52) CCR10NR3C1NR3C2CYP3A4HDAC8
SCHEMBL1076590 0.88 CCR10 (0.72) CCR10GAAMEN1USP2ALDH1A1
SCHEMBL1083515 0.85 CCR10 (0.77) CCR10
SCHEMBL1034111 0.83 CCR10 (0.61) CCR10
SCHEMBL1312100 0.83 CCR10 (0.63) CCR10
SCHEMBL1311660 0.83 CCR10 (0.61) CCR10
SCHEMBL12116567 0.83 CCR10 (0.61) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8586748-B2 2-sulfonylamino-4-heteroaryl butyramide antagonists of CCR10 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-11-19 — — US disclosed
US-8586748-B2 2-sulfonylamino-4-heteroaryl butyramide antagonists of CCR10 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-11-19 — — US disclosed
US-20110275800-A1 2-SULFONYLAMINO-4-HETEROARYL BUTYRAMIDE ANTAGONISTS OF CCR10 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-10 — — US disclosed
US-20110275800-A1 2-SULFONYLAMINO-4-HETEROARYL BUTYRAMIDE ANTAGONISTS OF CCR10 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-10 — — US disclosed
EP-2276731-A1 2-SULFONYLAMINO-4-HETEROARYL BUTYRAMIDE ANTAGONISTS OF CCR10 Boehringer Ingelheim International GmbH (DE) 2011-01-26 — — EP 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-20110275800-A1 2-SULFONYLAMINO-4-HETEROARYL BUTYRAMIDE ANTAGONISTS OF CCR10 CCR10, CCR1, CCR4 CCR10 1/4885NR3C1 79/4885NR3C2 107/4885

“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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