SCHEMBL6739588

SCHEMBL6739588

O=C(NO)[C@@H](CN1C(=O)c2ccccc2C1=O)NS(=O)(=O)Cc1ccc2sccc2c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 10/20 0.41
MMP9 P14780 8/20 0.41
MMP1 P03956 6/20 0.41
ADAM17 P78536 4/20 0.41
MMP14 P50281 3/20 0.41
HDAC1 Q13547 6/20 0.37
HDAC7 Q8WUI4 5/20 0.37
ADAM10 O14672 1/20 0.37
MMP13 P45452 5/20 0.36
MMP3 P08254 4/20 0.36
MMP8 P22894 2/20 0.36
HDAC8 Q9BY41 2/20 0.35
HDAC4 P56524 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
PTGER3 P43115 1/20 0.35
BRD4 O60885 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
SCHEMBL6740111 1.00 MMP2 (0.41) MMP2MMP9MMP1ADAM17MMP14
SCHEMBL7061407 0.90 ITGAV (0.37) MMP2MMP9HDAC1HDAC7HDAC8
SCHEMBL7061415 0.90 ITGAV (0.37) MMP2MMP9HDAC1HDAC7HDAC8
SCHEMBL6740361 0.85 ALDH1A1 (0.34) MMP13PTGER3BRD4
SCHEMBL6740356 0.85 ALDH1A1 (0.34) MMP13PTGER3BRD4
SCHEMBL6737622 0.81 MMP2 (0.40) MMP2MMP9HDAC1HDAC7MMP13
SCHEMBL6742970 0.81 HDAC1 (0.40) MMP2MMP9MMP1HDAC1HDAC7
SCHEMBL6738691 0.81 MMP2 (0.40) MMP2MMP9HDAC1HDAC7MMP13
SCHEMBL6742980 0.81 HDAC1 (0.40) MMP2MMP9MMP1HDAC1HDAC7
SCHEMBL6740091 0.80 HDAC1 (0.38) MMP2HDAC1MMP13HDAC8HDAC6

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 MMP2 689/4885MMP9 964/4885MMP1 1030/4885
US-20040225006-A1 (Hetero) bicyclymethanesulfonylamino-substituted hydroxamic acid derivates CD40, TNFRSF1A, CD2 MMP2 849/4885MMP9 1073/4885MMP1 559/4885

“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.