SCHEMBL3936447

SCHEMBL3936447

CS(=O)(=O)N1CCN(c2ncc(OCC(F)(F)F)cn2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.56
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
LMNA P02545 2/20 0.54
IDO1 P14902 2/20 0.44
TDO2 P48775 1/20 0.44
MMP13 P45452 5/20 0.42
KCNH2 Q12809 2/20 0.42
MMP14 P50281 1/20 0.42
GPR119 Q8TDV5 4/20 0.41
SMO Q99835 1/20 0.40
CXCR3 P49682 1/20 0.39
ALDH1A1 P00352 2/20 0.39
USP2 O75604 1/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ABL1 P00519 1/20 0.39
BCR P11274 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL3943472 0.86 GAA (0.46) KDM4ENPC1RAB9ALMNAGPR119
SCHEMBL3944220 0.80 MEN1 (0.53) KDM4ELMNAALDH1A1USP2HSD17B10
SCHEMBL3945486 0.76 KDM4E (0.56) KDM4ENPC1RAB9ALMNAMMP13
SCHEMBL5767517 0.75 LMNA (0.37) KDM4ENPC1RAB9ALMNAMMP13
SCHEMBL17411276 0.75 LMNA (0.69) KDM4ENPC1RAB9ALMNAIDO1
SCHEMBL28944781 0.75 PTGS2 (0.42) KDM4ENPC1KCNH2ALDH1A1USP2
SCHEMBL5767222 0.74 LMNA (0.36) LMNAMMP13KCNH2MMP14GPR119
SCHEMBL3945889 0.73 LMNA (0.67) KDM4ENPC1RAB9ALMNAIDO1
SCHEMBL3935660 0.73 LMNA (0.67) KDM4ENPC1RAB9ALMNAIDO1
SCHEMBL6646127 0.73 LMNA (0.67) KDM4ENPC1RAB9ALMNAIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7485644-B2 N-{'4-substituted piperazine-1-sulfonylmethylalkyl}-n-hydroxyfomamide compounds as metalloproteinase inhibitors ASTRAZENECA AB (SE) 2009-02-03 US disclosed
US-7485644-B2 N-{'4-substituted piperazine-1-sulfonylmethylalkyl}-n-hydroxyfomamide compounds as metalloproteinase inhibitors ASTRAZENECA AB (SE) 2009-02-03 US disclosed
US-7485644-B2 N-{'4-substituted piperazine-1-sulfonylmethylalkyl}-n-hydroxyfomamide compounds as metalloproteinase inhibitors ASTRAZENECA AB (SE) 2009-02-03 US disclosed
EP-1644340-B1 N-[({'4-SUBSTITUTED PIPERAZINE-1-YL}SULFONYLMETHYL)ALKYL]-N-HYDROXYFORMAMIDE COMPOUNDS AS METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2008-11-12 EP disclosed
EP-1644340-B1 N-[({'4-SUBSTITUTED PIPERAZINE-1-YL}SULFONYLMETHYL)ALKYL]-N-HYDROXYFORMAMIDE COMPOUNDS AS METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2008-11-12 EP disclosed
US-20070197542-A1 N-{'4-substituted piperazine-1-sulfonylmethyl!alkyl}-n-hydroxyfomamide compounds as metalloproteinase inhibitors ASTRAZENECA AB (SE) 2007-08-23 US disclosed
US-20070197542-A1 N-{'4-substituted piperazine-1-sulfonylmethyl!alkyl}-n-hydroxyfomamide compounds as metalloproteinase inhibitors ASTRAZENECA AB (SE) 2007-08-23 US disclosed
US-20070197542-A1 N-{'4-substituted piperazine-1-sulfonylmethyl!alkyl}-n-hydroxyfomamide compounds as metalloproteinase inhibitors ASTRAZENECA AB (SE) 2007-08-23 US disclosed
EP-1644340-A1 N-{'4-SUBSTITUTED PIPERAZINE-1-SULFONYLMETHYL]ALKYL}-N-HYDROXYFORMAMIDE COMPOUNDS AS METALLOPROTEINASE INHIBITORS AstraZeneca AB (SE) 2006-04-12 EP disclosed
WO-2005000822-A1 N-{‘4-SUBSTITUTED PIPERAZINE-1-SULFONYLMETHYL!ALKYL}-N-HYDROXYFOMAMIDE COMPOUNDS AS METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2005-01-06 WO disclosed
WO-2005000822-A1 N-{‘4-SUBSTITUTED PIPERAZINE-1-SULFONYLMETHYL!ALKYL}-N-HYDROXYFOMAMIDE COMPOUNDS AS METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2005-01-06 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-20070197542-A1 N-{'4-substituted piperazine-1-sulfonylmethyl!alkyl}-n-hydroxyfomamide compounds as metalloproteinase inhibitors MMP26, MMP9, MMP3 KDM4E 1414/4885NPC1 406/4885RAB9A 1717/4885

“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.