SCHEMBL6567555

SCHEMBL6567555

COc1ccc(CN2CCC(C(=O)OS(=O)(=O)c3ccc(OC)cc3)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
PKM P14618 1/20 0.53
MMP1 P03956 4/20 0.52
MMP9 P14780 4/20 0.52
MMP13 P45452 4/20 0.52
ADAM17 P78536 4/20 0.52
ALDH1A1 P00352 4/20 0.51
LMNA P02545 2/20 0.51
POLB P06746 1/20 0.51
MAPK1 P28482 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
KDM4E B2RXH2 3/20 0.50
SIGMAR1 Q99720 1/20 0.50
MAPT P10636 1/20 0.50
SLC18A3 Q16572 2/20 0.48

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
SCHEMBL7956096 0.96 MMP1 (0.55) MEN1KMT2APKMMMP1MMP9
SCHEMBL7345881 0.92 S1PR5 (0.60) MEN1KMT2AMMP1MMP9MMP13
SCHEMBL7355241 0.89 KDM4E (0.67) MEN1KMT2APKMMMP1MMP9
SCHEMBL7509075 0.87 MMP1 (0.61) MEN1KMT2AMMP1MMP9MMP13
SCHEMBL7506962 0.84 MMP1 (0.54) PKMMMP1MMP9MMP13ADAM17
SCHEMBL493434 0.83 MEN1 (0.61) MEN1KMT2APKMALDH1A1KDM4E
SCHEMBL7998480 0.83 OPRM1 (0.55) MEN1KMT2APKMMMP1MMP9
SCHEMBL7347681 0.83 ALDH1A1 (0.64) MEN1KMT2APKMALDH1A1LMNA
SCHEMBL7353607 0.82 S1PR5 (0.58) MEN1KMT2AMMP1MMP9MMP13
SCHEMBL6988354 0.80 KDM4E (0.74) MEN1KMT2AALDH1A1POLBSMN1; SMN2

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
EP-0973512-B1 N-HYDROXY-2-(ALKYL, ARYL OR HETEROARYL SULFANYL, SULFINYL OR SULFONYL)-3-SUBSTITUTED ALKYL, ARYL OR HETEROARYLAMIDES AS MATRIX METALLOPROTEINASE INHIBITORS WYETH CORP (US) 2004-04-07 EP disclosed
US-20020006922-A1 N-hydroxy-2-(alkyl, aryl, or heteroaryl sulfanyl, sulfinyl or sulfonyl)-3-substituted alkyl, aryl or heteroarylamides as matrix metalloproteinase inhibitors AMERICAN CYANAMID COMPANY (US) 2002-01-17 US disclosed
EP-0970046-A1 N-HYDROXY-2-(ALKYL, ARYL, OR HETEROARYL SULFANYL, SULFINYL OR SULFONYL)-3-SUBSTITUTED ALKYL, ARYL OR HETEROARYLAMIDES AS MATRIX METALLOPROTEINASE INHIBITORS American Cyanamid Company (US) 2000-01-12 EP disclosed
WO-1998038163-A1 N-HYDROXY-2-(ALKYL, ARYL, OR HETEROARYL SULFANYL, SULFINYL OR SULFONYL)-3-SUBSTITUTED ALKYL, ARYL OR HETEROARYLAMIDES AS MATRIX METALLOPROTEINASE INHIBITORS AMERICAN CYANAMID COMPANY (US) 1998-09-03 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-20020006922-A1 N-hydroxy-2-(alkyl, aryl, or heteroaryl sulfanyl, sulfinyl or sulfonyl)-3-substituted alkyl, aryl or heteroarylamides as matrix metalloproteinase inhibitors MMP12, ADAM33, MMP2 MEN1 4194/4885KMT2A 3103/4885PKM 4126/4885

“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.