SCHEMBL1312078

SCHEMBL1312078

O=C(C(CCn1ccnc1[N+](=O)[O-])NS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)N1CCc2ccccc2C1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CCR10 P46092 7/20 0.55
▸ GAA P10253 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ USP2 O75604 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.39
▸ F10 P00742 1/20 0.39
▸ RAB9A P51151 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ SPR P35270 1/20 0.37
▸ TAS1R3 Q7RTX0 1/20 0.37
▸ TAS1R1 Q7RTX1 1/20 0.37
▸ TAS1R2 Q8TE23 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37

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
SCHEMBL1075035 0.95 CCR10 (0.56) CCR10GAAALDH1A1MEN1USP2
SCHEMBL1311486 0.94 CCR10 (0.55) CCR10GAAALDH1A1MEN1USP2
SCHEMBL1076590 0.88 CCR10 (0.72) CCR10GAAALDH1A1MEN1USP2
SCHEMBL13665160 0.87 CCR10 (0.44) CCR10GAAALDH1A1MEN1USP2
SCHEMBL1074363 0.84 CCR10 (0.54) CCR10GAAALDH1A1MEN1USP2
SCHEMBL1311259 0.83 CCR10 (0.78) CCR10
SCHEMBL1076161 0.82 CCR10 (0.51) CCR10GAAALDH1A1MEN1USP2
SCHEMBL1311519 0.82 CCR10 (0.49) CCR10GAAALDH1A1MEN1USP2
SCHEMBL13665881 0.82 CCR10 (0.52) CCR10GAAALDH1A1MEN1USP2
SCHEMBL1076626 0.81 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 4 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

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 1/4885GAA 3695/4885ALDH1A1 1239/4885

“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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