SCHEMBL6739658

SCHEMBL6739658

O=C(NO)C(CCc1ccccc1)NS(=O)(=O)Cc1ccc2ccccc2c1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
FCER2 P06734 2/20 0.43
MMP9 P14780 3/20 0.43
MMP1 P03956 1/20 0.43
MMP13 P45452 1/20 0.43
ADAM17 P78536 1/20 0.43
MMP8 P22894 4/20 0.41
MMP2 P08253 1/20 0.41
METAP2 P50579 1/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC8 Q9BY41 1/20 0.41

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
SCHEMBL6739657 1.00 TSHR (0.45) TSHRFCER2MMP9MMP1MMP13
SCHEMBL6841965 0.89 MMP7 (0.48) MMP13
SCHEMBL6841969 0.89 MMP7 (0.48) MMP13
SCHEMBL7056836 0.86 MMP9 (0.38) TSHRFCER2MMP9MMP1MMP13
SCHEMBL6737622 0.85 MMP2 (0.40) TSHRMMP9MMP13MMP8MMP2
SCHEMBL6738691 0.85 MMP2 (0.40) TSHRMMP9MMP13MMP8MMP2
SCHEMBL6733013 0.83 MMP9 (0.48) MMP9MMP1MMP13ADAM17MMP8
SCHEMBL6733017 0.83 MMP9 (0.48) MMP9MMP1MMP13ADAM17MMP8
SCHEMBL7558929 0.81 ITGB3 (0.38) MMP9MMP1MMP13MMP2METAP2
SCHEMBL7558927 0.81 ITGB3 (0.38) MMP9MMP1MMP13MMP2METAP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040225006-A1 (Hetero) bicyclymethanesulfonylamino-substituted hydroxamic acid derivates SMITHKLINE BEECHAM P.L.C. 2004-11-11 US claimed
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 TSHR 974/4885FCER2 179/4885MMP9 964/4885
US-20040225006-A1 (Hetero) bicyclymethanesulfonylamino-substituted hydroxamic acid derivates CD40, TNFRSF1A, CD2 TSHR 952/4885FCER2 202/4885MMP9 1073/4885

“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.