SCHEMBL6403781

SCHEMBL6403781

CC[C@@H](CS(=O)(=O)Cc1cnc2ccccc2c1)NCC#N.CC[C@@H](CS(=O)(=O)Cc1cnc2ccccc2c1)NO

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.36
MMP9 P14780 2/20 0.35
MMP2 P08253 2/20 0.35
MMP8 P22894 1/20 0.35
RAB9A P51151 2/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MMP1 P03956 1/20 0.34
FCER2 P06734 1/20 0.34
MMP3 P08254 1/20 0.34
TRPV1 Q8NER1 2/20 0.33
KMT2A Q03164 2/20 0.33
ACACB O00763 1/20 0.33
FAAH O00519 3/20 0.33
MMP13 P45452 1/20 0.33
PDE10A Q9Y233 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32

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
SCHEMBL6609609 0.95 CYP1A2 (0.39) CYP1A2MMP9MMP2MMP8RAB9A
SCHEMBL6609601 0.95 CYP1A2 (0.39) CYP1A2MMP9MMP2MMP8RAB9A
SCHEMBL6607276 0.91 CYP1A2 (0.42) CYP1A2MMP9MMP2MMP8RAB9A
SCHEMBL6607278 0.91 CYP1A2 (0.42) CYP1A2MMP9MMP2MMP8RAB9A
SCHEMBL6987897 0.90 MMP2 (0.35) CYP1A2MMP9MMP2MMP8RAB9A
SCHEMBL6754693 0.89 MMP2 (0.40) CYP1A2MMP9MMP2MMP8MMP1
Hydrochloric Acid SCHEMBL6399825 0.89 CYP1A2 (0.37) CYP1A2MMP9MMP2MMP8RAB9A
SCHEMBL6404062 0.87 CYP1A2 (0.38) CYP1A2MMP2RAB9ALMNAPOLB
SCHEMBL6404069 0.87 CYP1A2 (0.38) CYP1A2MMP2RAB9ALMNAPOLB
SCHEMBL6400334 0.86 CYP1A2 (0.38) CYP1A2RAB9AKMT2APDE10AHIF1A

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 CYP1A2 1075/4885MMP9 3613/4885MMP2 2931/4885
US-20040024066-A1 Bicyclyl or heterobicyclylmethanesulfonylamino-substituted n-hydroxyformamides CD22, CD2, NEU3 CYP1A2 909/4885MMP9 3775/4885MMP2 2846/4885

“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.