SCHEMBL1311661

SCHEMBL1311661

Nc1cc(Cl)cc(Cl)c1S(=O)(=O)NC(CCc1c[nH]c(Cl)n1)C(=O)N1CCc2ccccc2C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR10 P46092 3/20 0.46
▸ HDAC8 Q9BY41 1/20 0.41
▸ NR3C1 P04150 4/20 0.40
▸ NR3C2 P08235 4/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ F10 P00742 1/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ USP2 O75604 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ TAS1R3 Q7RTX0 1/20 0.39
▸ TAS1R1 Q7RTX1 1/20 0.39
▸ TAS1R2 Q8TE23 1/20 0.39
▸ PGR P06401 1/20 0.38
▸ SPR P35270 1/20 0.37
▸ CCKBR P32239 1/20 0.37
▸ NLN Q9BYT8 1/20 0.36
▸ POLB P06746 1/20 0.36

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
SCHEMBL1311049 0.87 CCR10 (0.53) CCR10F10MEN1KMT2AUSP2
SCHEMBL1338181 0.86 CCR10 (0.51) CCR10HDAC8F10MEN1KMT2A
1,2,3,4-Tetrahydroisoquinoline SCHEMBL1338180 0.82 CCR10 (0.46) CCR10HDAC8F10MEN1KMT2A
SCHEMBL1074363 0.81 CCR10 (0.54) CCR10HDAC8NR3C1NR3C2CYP3A4
SCHEMBL13665881 0.79 CCR10 (0.52) CCR10HDAC8NR3C1NR3C2CYP3A4
SCHEMBL1075035 0.77 CCR10 (0.56) CCR10HDAC8NR3C1NR3C2CYP3A4
SCHEMBL1337084 0.73 KMT2A (0.51) CCR10HDAC8F10MEN1KMT2A
SCHEMBL13621563 0.73 RAB9A (0.61) HDAC8CYP3A4MEN1KMT2AALDH1A1
SCHEMBL13665160 0.72 CCR10 (0.44) CCR10HDAC8CYP3A4F10MEN1
SCHEMBL1336830 0.72 CCR10 (0.70) CCR10F10MEN1KMT2AUSP2

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 2 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-20110275800-A1 2-SULFONYLAMINO-4-HETEROARYL BUTYRAMIDE ANTAGONISTS OF CCR10 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-20110275800-A1 2-SULFONYLAMINO-4-HETEROARYL BUTYRAMIDE ANTAGONISTS OF CCR10 CCR10, CCR1, CCR4 CCR10 1/4885HDAC8 685/4885NR3C1 79/4885

“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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