SCHEMBL6796907

SCHEMBL6796907

O=C(Nc1ccc(C(=S(=O)=O)C2(C(=O)NO)CCNCC2)cc1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.54
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
KMT2A Q03164 2/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
MEN1 O00255 1/20 0.45
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.45
PTPN1 P18031 2/20 0.44
CACNA1B Q00975 1/20 0.43
APBA1 Q02410 1/20 0.43
FFAR1 O14842 1/20 0.42
SIRT1 Q96EB6 1/20 0.42
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL6796783 0.81 MMP1 (0.43) HDAC1
SCHEMBL6791098 0.71 ADAM17 (0.61) HDAC1KMT2AMEN1LMNA
SCHEMBL673678 0.69 HDAC8 (0.89) HDAC1NPC1RAB9AKMT2AHDAC2
SCHEMBL18103163 0.69 NPC1 (0.88) NPC1RAB9AKMT2AHDAC2HDAC8
SCHEMBL14715824 0.69 NPC1 (0.88) NPC1RAB9AKMT2AHDAC2HDAC8
SCHEMBL26953087 0.68 PTPN1 (0.88) NPC1RAB9AKMT2AHDAC2HDAC8
SCHEMBL126415 0.67 PTPN1 (0.87) NPC1RAB9AKMT2AHDAC2HDAC8
SCHEMBL1992524 0.67 NPC1 (0.52) HDAC1NPC1RAB9AKMT2AMEN1
SCHEMBL14715847 0.66 PTPN1 (0.84) HDAC1NPC1RAB9AKMT2AHDAC2
SCHEMBL532678 0.65 MAPT (0.74) NPC1RAB9AKMT2AMEN1KDM4E

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040097487-A1 Aromatic sulfonyl alpha-cycloamino hydroxamic acid compounds G.D. SEARLE & CO. 2004-05-20 US disclosed
US-6638952-B1 Matrix metalloprotease inhibitors PHARMACIA CORPORATION 2003-10-28 US disclosed
EP-0983257-A4 AROMATIC SULFONYL ALPHA-CYCLOAMINO HYDROXAMIC ACID COMPOUNDS MONSANTO CO (US) 2001-05-02 EP disclosed
EP-0983257-A1 AROMATIC SULFONYL ALPHA-CYCLOAMINO HYDROXAMIC ACID COMPOUNDS Monsanto Company (US) 2000-03-08 EP disclosed
WO-1998039315-A1 AROMATIC SULFONYL ALPHA-CYCLOAMINO HYDROXAMIC ACID COMPOUNDS MONSANTO COMPANY (US) 1998-09-11 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-20040097487-A1 Aromatic sulfonyl alpha-cycloamino hydroxamic acid compounds MMP1, MMP2, MMP10 HDAC1 133/4885NPC1 2772/4885RAB9A 3594/4885

“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.