SCHEMBL6743310

SCHEMBL6743310

O=C(NO)[C@H](NS(=O)(=O)Cc1ccc2ccsc2c1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEP1B Q16820 2/20 0.41
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
MRGPRX4 Q96LA9 1/20 0.36
TP53 P04637 2/20 0.36
ALDH1A1 P00352 2/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL7061042 1.00 MEP1B (0.41) MEP1BHDAC1HDAC8HDAC6MRGPRX4
SCHEMBL6738953 0.91 MEP1B (0.41) MEP1BHDAC1HDAC8HDAC6MRGPRX4
SCHEMBL6738949 0.91 MEP1B (0.41) MEP1BHDAC1HDAC8HDAC6MRGPRX4
SCHEMBL6738793 0.84 MEP1B (0.45) MEP1BHDAC1HDAC8HDAC6
SCHEMBL6738796 0.84 MEP1B (0.45) MEP1BHDAC1HDAC8HDAC6
SCHEMBL6740009 0.82 MEP1B (0.36) MEP1BHDAC8HDAC6MRGPRX4TP53
SCHEMBL6740013 0.82 MEP1B (0.36) MEP1BHDAC8HDAC6MRGPRX4TP53
SCHEMBL6739244 0.82 MMP2 (0.39) MEP1BHDAC1MRGPRX4
SCHEMBL6739240 0.82 MMP2 (0.39) MEP1BHDAC1MRGPRX4
SCHEMBL6741909 0.81 CTNNB1 (0.41) HDAC1MRGPRX4TP53MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030199571-A1 (Hetero) Bicyclymethanesulfonylamino-substituted hydroxamic acid derivatives SMITHKLINE BEECHAM P.L.C. (GB) 2003-10-23 US claimed
EP-1244616-A1 (HETERO)BICYCLYLMETHANESULFONYLAMINO-SUBSTITUTED HYDROXAMIC ACID DERIVATIVES SmithKline Beecham plc (GB) 2002-10-02 EP claimed
WO-2001047874-A1 (HETERO)BICYCLYMETHANESULFONYLAMINO-SUBSTITUTED HYDROXAMIC ACID DERIVATIVES SMITHKLINE BEECHAM P.L.C. (GB) 2001-07-05 WO claimed
US-20040225006-A1 (Hetero) bicyclymethanesulfonylamino-substituted hydroxamic acid derivates SMITHKLINE BEECHAM P.L.C. 2004-11-11 US disclosed
US-20030199571-A1 (Hetero) Bicyclymethanesulfonylamino-substituted hydroxamic acid derivatives SMITHKLINE BEECHAM P.L.C. (GB) 2003-10-23 US disclosed
EP-1244616-A1 (HETERO)BICYCLYLMETHANESULFONYLAMINO-SUBSTITUTED HYDROXAMIC ACID DERIVATIVES SmithKline Beecham plc (GB) 2002-10-02 EP disclosed
WO-2001047874-A1 (HETERO)BICYCLYMETHANESULFONYLAMINO-SUBSTITUTED HYDROXAMIC ACID DERIVATIVES SMITHKLINE BEECHAM P.L.C. (GB) 2001-07-05 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-20030199571-A1 (Hetero) Bicyclymethanesulfonylamino-substituted hydroxamic acid derivatives CD40, CD22, CD2 MEP1B 515/4885HDAC1 268/4885HDAC8 1721/4885
US-20040225006-A1 (Hetero) bicyclymethanesulfonylamino-substituted hydroxamic acid derivates CD40, TNFRSF1A, CD2 MEP1B 484/4885HDAC1 209/4885HDAC8 2151/4885

“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.