SCHEMBL6403783

SCHEMBL6403783

CCC(CS(=O)(=O)Cc1cnc2ccccc2c1)N(O)CC[C@@H](CS(=O)(=O)Cc1cnc2ccccc2c1)NCC#N

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.34
MMP13 P45452 1/20 0.34
CYP1A2 P05177 1/20 0.33
RAB9A P51151 2/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HIF1A Q16665 1/20 0.32
EPAS1 Q99814 1/20 0.32
KMT2A Q03164 2/20 0.31
KDM4E B2RXH2 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
DPP4 P27487 1/20 0.31
TRPV1 Q8NER1 3/20 0.31
PTGES O14684 1/20 0.31
ALOX5 P09917 1/20 0.31
HTR7 P34969 1/20 0.31
HTR6 P50406 1/20 0.31
SIRT2 Q8IXJ6 1/20 0.31

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
SCHEMBL6987901 0.87 MMP2 (0.35) MMP2MMP13CYP1A2RAB9ALMNA
SCHEMBL6404062 0.86 CYP1A2 (0.38) MMP2MMP13CYP1A2RAB9ALMNA
SCHEMBL6404069 0.86 CYP1A2 (0.38) MMP2MMP13CYP1A2RAB9ALMNA
SCHEMBL6609601 0.86 CYP1A2 (0.39) MMP2CYP1A2RAB9ALMNAPOLB
SCHEMBL6609609 0.86 CYP1A2 (0.39) MMP2CYP1A2RAB9ALMNAPOLB
SCHEMBL6403781 0.83 CYP1A2 (0.36) MMP2MMP13CYP1A2RAB9ALMNA
SCHEMBL6754696 0.80 MMP2 (0.34) MMP2MMP13CYP1A2HIF1AEPAS1
SCHEMBL6607771 0.80 MMP2 (0.38) MMP2MMP13CYP1A2RAB9AHIF1A
SCHEMBL6607764 0.80 MMP2 (0.38) MMP2MMP13CYP1A2RAB9AHIF1A
Hydrochloric Acid SCHEMBL6399825 0.80 CYP1A2 (0.37) MMP2CYP1A2RAB9ALMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050288376-A1 Bicyclyl or heterobicyclylmethanesulfonylanimo-substituted N-hydroxyformamides SMITHKLINE BEECHAM PLC 2005-12-29 US disclosed
US-20040024066-A1 Bicyclyl or heterobicyclylmethanesulfonylamino-substituted n-hydroxyformamides SMITHKLINE BEECHAM P.L.C. (GB) 2004-02-05 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 (2 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-20050288376-A1 Bicyclyl or heterobicyclylmethanesulfonylanimo-substituted N-hydroxyformamides CD22, CD2, NEU3 MMP2 2931/4885MMP13 469/4885CYP1A2 1075/4885
US-20040024066-A1 Bicyclyl or heterobicyclylmethanesulfonylamino-substituted n-hydroxyformamides CD22, CD2, NEU3 MMP2 2846/4885MMP13 559/4885CYP1A2 909/4885

“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.