SCHEMBL6732763

SCHEMBL6732763

CC(C)(C)OC(=O)[C@@H](CCC(=O)O)NS(=O)(=O)Cc1ccc2sccc2c1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.34
CTNNB1 P35222 2/20 0.33
WNT3A P56704 2/20 0.33
CYP2A6 P11509 1/20 0.33
MMP2 P08253 1/20 0.33
MMP13 P45452 1/20 0.33
TMPRSS11D O60235 1/20 0.33
CASR P41180 1/20 0.32
LY96 Q9Y6Y9 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CA2 P00918 2/20 0.32
CA12 O43570 1/20 0.32
STS P08842 1/20 0.32
MRGPRX4 Q96LA9 1/20 0.31
ITGA4 P13612 1/20 0.31
ITGB7 P26010 1/20 0.31

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
SCHEMBL7126321 0.86 NPR3 (0.39) CYP2A6MMP2MMP13MEN1KMT2A
SCHEMBL6742137 0.84 ALDH1A1 (0.39) KMT2A
SCHEMBL7117234 0.82 CTNNB1 (0.36) CTNNB1WNT3ACYP2A6MMP13MEN1
SCHEMBL6740356 0.80 ALDH1A1 (0.34) MMP13STS
SCHEMBL6740361 0.80 ALDH1A1 (0.34) MMP13STS
SCHEMBL6742824 0.80 GRN (0.38) SIGMAR1CTNNB1WNT3ACYP2A6MMP2
SCHEMBL6743501 0.80 GRN (0.38) SIGMAR1CTNNB1WNT3ACYP2A6MMP2
SCHEMBL7127966 0.79 ATM (0.35) CTNNB1WNT3ACYP2A6MMP13MEN1
SCHEMBL6734434 0.79 LY96 (0.35) CYP2A6MMP2MMP13LY96CA2
SCHEMBL6733623 0.77 MMP13 (0.39) SIGMAR1CYP2A6MMP2MMP13CASR

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-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 SIGMAR1 1656/4885CTNNB1 3925/4885WNT3A 1856/4885
US-20040225006-A1 (Hetero) bicyclymethanesulfonylamino-substituted hydroxamic acid derivates CD40, TNFRSF1A, CD2 SIGMAR1 915/4885CTNNB1 3411/4885WNT3A 1918/4885

“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.