SCHEMBL6401254

SCHEMBL6401254

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.35
HDAC3 O15379 3/20 0.35
HDAC4 P56524 3/20 0.35
HDAC1 Q13547 3/20 0.35
HDAC7 Q8WUI4 3/20 0.35
HDAC2 Q92769 3/20 0.35
HDAC10 Q969S8 3/20 0.35
HDAC11 Q96DB2 3/20 0.35
HDAC8 Q9BY41 3/20 0.35
HDAC6 Q9UBN7 3/20 0.35
HDAC9 Q9UKV0 3/20 0.35
HDAC5 Q9UQL6 3/20 0.35
RAB9A P51151 2/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MMP2 P08253 2/20 0.34
MMP9 P14780 2/20 0.34
MMP8 P22894 1/20 0.34

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
SCHEMBL6401582 0.92 CYP1A2 (0.38) CYP1A2HDAC3HDAC4HDAC1HDAC7
SCHEMBL6400533 0.92 CYP1A2 (0.38) CYP1A2HDAC3HDAC4HDAC1HDAC7
SCHEMBL6607278 0.89 CYP1A2 (0.42) CYP1A2HDAC3HDAC4HDAC1HDAC7
SCHEMBL6607276 0.89 CYP1A2 (0.42) CYP1A2HDAC3HDAC4HDAC1HDAC7
SCHEMBL6399837 0.89 MMP2 (0.35) CYP1A2HDAC3HDAC4HDAC1HDAC7
SCHEMBL6401571 0.87 MMP2 (0.39) CYP1A2HDAC3HDAC4HDAC1HDAC7
SCHEMBL6399546 0.87 MMP2 (0.36) CYP1A2HDAC3HDAC4HDAC1HDAC7
SCHEMBL6755588 0.85 HPGD (0.38) CYP1A2HDAC3HDAC4HDAC1HDAC7
SCHEMBL6406024 0.84 KMT2A (0.38) CYP1A2HDAC3HDAC4HDAC1HDAC7
SCHEMBL6406029 0.84 KMT2A (0.38) CYP1A2HDAC3HDAC4HDAC1HDAC7

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 1075/4885HDAC3 573/4885HDAC4 1740/4885
US-20040024066-A1 Bicyclyl or heterobicyclylmethanesulfonylamino-substituted n-hydroxyformamides CD22, CD2, NEU3 CYP1A2 909/4885HDAC3 630/4885HDAC4 1729/4885

“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.