Sugi Predict

Sugi Predict / Compounds / SCHEMBL6754693

SCHEMBL6754693

SCHEMBL6754693

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 2/20 0.40
▸ MMP9 P14780 2/20 0.40
▸ MMP8 P22894 1/20 0.40
▸ CCR1 P32246 2/20 0.35
▸ MMP13 P45452 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ ACACB O00763 1/20 0.34
▸ GCG P01275 1/20 0.34
▸ HDAC6 Q9UBN7 2/20 0.33
▸ HDAC3 O15379 1/20 0.33
▸ HDAC4 P56524 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC7 Q8WUI4 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ HDAC10 Q969S8 1/20 0.33
▸ HDAC11 Q96DB2 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ HDAC9 Q9UKV0 1/20 0.33
▸ HDAC5 Q9UQL6 1/20 0.33
▸ CTSB P07858 1/20 0.33

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
SCHEMBL6607764 0.95 MMP2 (0.38) MMP2MMP9MMP8CCR1MMP13
SCHEMBL6607771 0.95 MMP2 (0.38) MMP2MMP9MMP8CCR1MMP13
SCHEMBL6608483 0.91 MMP2 (0.45) MMP2MMP9MMP8CCR1MMP13
SCHEMBL6608479 0.91 MMP2 (0.45) MMP2MMP9MMP8CCR1MMP13
Hydrochloric Acid SCHEMBL6428763 0.89 CYP1A2 (0.36) MMP2MMP9MMP8CCR1MMP13
SCHEMBL6403781 0.89 CYP1A2 (0.36) MMP2MMP9MMP8MMP13CYP1A2
SCHEMBL6754696 0.85 MMP2 (0.34) MMP2MMP9MMP8CCR1MMP13
SCHEMBL6609609 0.85 CYP1A2 (0.39) MMP2MMP9MMP8CYP1A2ACACB
SCHEMBL6609601 0.85 CYP1A2 (0.39) MMP2MMP9MMP8CYP1A2ACACB
SCHEMBL6400334 0.84 CYP1A2 (0.38) CYP1A2PDE10AHIF1AEPAS1ALPL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040024066-A1 Bicyclyl or heterobicyclylmethanesulfonylamino-substituted n-hydroxyformamides SMITHKLINE BEECHAM P.L.C. (GB) 2004-02-05 — — US disclosed
EP-1289980-A1 BICYCLYL OR HETEROBICYCLYLMETHANESULFONYLAMINO-SUBSTITUTED N-HYDROXYFORMAMIDES SMITHKLINE BEECHAM PLC (GB) 2003-03-12 — — EP disclosed
WO-2001090100-A1 BICYCLYL OR HETEROBICYCLYLMETHANESULFONYLAMINO-SUBSTITUTED N-HYDROXYFORMAMIDES SMITHKLINE BEECHAM P.L.C. (GB) 2001-11-29 — — 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-20040024066-A1 Bicyclyl or heterobicyclylmethanesulfonylamino-substituted n-hydroxyformamides CD22, CD2, NEU3 MMP2 2846/4885MMP9 3775/4885MMP8 2510/4885

“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.