SCHEMBL1337084

SCHEMBL1337084

O=C([C@@H](CCc1ccccc1)NS(=O)(=O)c1c(Cl)cccc1Cl)N1CCc2ccccc2C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.51
▸ CCR10 P46092 2/20 0.50
▸ F10 P00742 1/20 0.47
▸ HDAC8 Q9BY41 1/20 0.47
▸ GAA P10253 2/20 0.46
▸ TACR1 P25103 1/20 0.46
▸ ALDH1A1 P00352 5/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ MAPT P10636 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ USP2 O75604 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ TAAR1 Q96RJ0 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ CASP1 P29466 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ F2 P00734 1/20 0.44
▸ LMNA P02545 2/20 0.43
▸ NPC1 O15118 1/20 0.43

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
1,2,3,4-Tetrahydroisoquinoline SCHEMBL1338267 0.92 KMT2A (0.44) KMT2ACCR10F10HDAC8GAA
SCHEMBL1338181 0.86 CCR10 (0.51) KMT2ACCR10F10HDAC8GAA
SCHEMBL1336830 0.85 CCR10 (0.70) KMT2ACCR10F10GAAALDH1A1
SCHEMBL1338204 0.82 KMT2A (0.51) KMT2ACCR10F10HDAC8GAA
SCHEMBL1076161 0.82 CCR10 (0.51) KMT2ACCR10F10GAAALDH1A1
SCHEMBL1338298 0.81 CCR10 (0.73) CCR10F10ALDH1A1F2LMNA
SCHEMBL1342172 0.81 CCR10 (0.73) CCR10F10ALDH1A1F2LMNA
1,2,3,4-Tetrahydroisoquinoline SCHEMBL1338180 0.80 CCR10 (0.46) KMT2ACCR10F10HDAC8GAA
SCHEMBL1074637 0.80 CCR10 (0.58) CCR10
SCHEMBL13665628 0.80 CCR10 (0.42) KMT2ACCR10F10GAAALDH1A1

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 6 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
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
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
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
WO-2009142984-A1 ALPHA-SUBSTITUTED N-SULFONYL GYLCINE AMIDES ANTAGONISTS OF CCR10, COMPOSITIONS CONTAINING THE SAME AND METHODS FOR USING THEM BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-11-26 — — 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-20110275612-A1 ALPHA-SUBSTITUTED N-SULFONYL GYLCINE AMIDES ANTAGONISTS OF CCR10, COMPOSITIONS CONTAINING THE SAME AND METHODS FOR USING THEM CCR10, CCR1, CCR3 KMT2A 3333/4885CCR10 1/4885F10 2164/4885

“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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