SCHEMBL1076161

SCHEMBL1076161

O=C(C(CCn1ccnc1Cl)NS(=O)(=O)c1c(Cl)cccc1Cl)N1CCc2ccccc2C1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CCR10 P46092 7/20 0.51
▸ ALDH1A1 P00352 4/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ GAA P10253 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ USP2 O75604 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ F10 P00742 1/20 0.41
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ TAS1R3 Q7RTX0 1/20 0.39
▸ TAS1R1 Q7RTX1 1/20 0.39
▸ TAS1R2 Q8TE23 1/20 0.39
▸ RAB9A P51151 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
SCHEMBL13665628 0.91 CCR10 (0.42) CCR10ALDH1A1KMT2AGAAMEN1
SCHEMBL1311486 0.88 CCR10 (0.55) CCR10ALDH1A1KMT2AGAAMEN1
SCHEMBL1074363 0.88 CCR10 (0.54) CCR10ALDH1A1KMT2AGAAMEN1
SCHEMBL1077338 0.86 CCR10 (0.70) CCR10
Methane SCHEMBL4439205 0.86 CCR10 (0.50) CCR10ALDH1A1F10CYP3A4CYP2C9
SCHEMBL13665160 0.84 CCR10 (0.44) CCR10ALDH1A1KMT2AGAAMEN1
SCHEMBL1311146 0.83 CCR10 (0.48) CCR10ALDH1A1KMT2AGAAMEN1
SCHEMBL1077584 0.83 CCR10 (0.73) CCR10
SCHEMBL1074637 0.83 CCR10 (0.58) CCR10
SCHEMBL1312078 0.82 CCR10 (0.55) CCR10ALDH1A1KMT2AGAAMEN1

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-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
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
WO-2009126675-A1 2-SULFONYLAMINO-4-HETEROARYL BUTYRAMIDE ANTAGONISTS OF CCR10 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-15 — — 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-20110275800-A1 2-SULFONYLAMINO-4-HETEROARYL BUTYRAMIDE ANTAGONISTS OF CCR10 CCR10, CCR1, CCR4 CCR10 1/4885ALDH1A1 1239/4885KMT2A 1509/4885

“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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