Sugi Predict

Sugi Predict / Compounds / SCHEMBL6401557

SCHEMBL6401557

SCHEMBL6401557

CC(=S)OC[C@H](CC(C)C)NC(=O)OC(C)(C)C.CC(C)C[C@@H](CSCc1cnc2ccccc2c1)NC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 7/20 0.41
▸ HDAC4 P56524 2/20 0.40
▸ HDAC1 Q13547 2/20 0.40
▸ HDAC3 O15379 1/20 0.39
▸ HDAC7 Q8WUI4 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ HDAC10 Q969S8 1/20 0.39
▸ HDAC11 Q96DB2 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ HDAC9 Q9UKV0 1/20 0.39
▸ HDAC5 Q9UQL6 1/20 0.39
▸ PPARG P37231 3/20 0.38
▸ PPARA Q07869 3/20 0.38
▸ MMP9 P14780 2/20 0.37
▸ MMP2 P08253 1/20 0.37
▸ MMP8 P22894 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL6608510 0.91 HDAC4 (0.46) AAK1HDAC4HDAC1HDAC3HDAC7
SCHEMBL6404683 0.84 HDAC4 (0.40) AAK1HDAC4HDAC1HDAC3HDAC7
SCHEMBL6605016 0.83 HDAC4 (0.45) AAK1HDAC4HDAC1HDAC3HDAC7
SCHEMBL6399013 0.82 HDAC4 (0.46) HDAC4HDAC1HDAC3HDAC7HDAC2
SCHEMBL6979518 0.82 HDAC4 (0.47) HDAC4HDAC1HDAC3HDAC7HDAC2
SCHEMBL6608785 0.82 HDAC4 (0.47) HDAC4HDAC1HDAC3HDAC7HDAC2
SCHEMBL6400670 0.81 HDAC4 (0.48) HDAC4HDAC1HDAC3HDAC7HDAC2
SCHEMBL6078549 0.78 HDAC4 (0.45) HDAC4HDAC1HDAC3HDAC7HDAC2
SCHEMBL6404268 0.76 HDAC4 (0.42) HDAC4HDAC1HDAC3HDAC7HDAC2
SCHEMBL6404184 0.76 HDAC4 (0.42) HDAC4HDAC1HDAC3HDAC7HDAC2

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 4 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
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 (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 AAK1 4373/4885HDAC4 1740/4885HDAC1 836/4885
US-20040024066-A1 Bicyclyl or heterobicyclylmethanesulfonylamino-substituted n-hydroxyformamides CD22, CD2, NEU3 AAK1 4203/4885HDAC4 1729/4885HDAC1 677/4885

“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.