SCHEMBL6739244

SCHEMBL6739244

O=C(NO)C(NS(=O)(=O)Cc1ccc2sccc2c1)c1ccc(O)cc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.39
MMP13 P45452 1/20 0.39
CYP2A6 P11509 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.34
ANPEP P15144 3/20 0.33
ADRB3 P13945 1/20 0.33
CTNNB1 P35222 1/20 0.32
WNT3A P56704 1/20 0.32
MEP1B Q16820 2/20 0.31
TPSAB1 Q15661 1/20 0.31
HDAC1 Q13547 1/20 0.31
FFAR1 O14842 1/20 0.31
SIGMAR1 Q99720 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
SCHEMBL6739240 1.00 MMP2 (0.39) MMP2MMP13CYP2A6MRGPRX4ANPEP
SCHEMBL6740817 0.91 MMP13 (0.43) MMP2MMP13CYP2A6ADRB3HDAC1
SCHEMBL6741376 0.91 MMP2 (0.39) MMP2MMP13CYP2A6ANPEPHDAC1
SCHEMBL6740820 0.91 MMP13 (0.43) MMP2MMP13CYP2A6ADRB3HDAC1
SCHEMBL7061656 0.91 MMP2 (0.39) MMP2MMP13CYP2A6ANPEPHDAC1
SCHEMBL6738953 0.90 MEP1B (0.41) MMP2MMP13CYP2A6MRGPRX4CTNNB1
SCHEMBL6738949 0.90 MEP1B (0.41) MMP2MMP13CYP2A6MRGPRX4CTNNB1
SCHEMBL7059153 0.89 CYP2A6 (0.38) MMP2MMP13CYP2A6MRGPRX4ADRB3
SCHEMBL6738240 0.85 MMP2 (0.37) MMP2MMP13MRGPRX4MEP1B
SCHEMBL6738238 0.85 MMP2 (0.37) MMP2MMP13MRGPRX4MEP1B

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 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

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 689/4885MMP13 94/4885CYP2A6 392/4885
US-20040225006-A1 (Hetero) bicyclymethanesulfonylamino-substituted hydroxamic acid derivates CD40, TNFRSF1A, CD2 MMP2 849/4885MMP13 71/4885CYP2A6 552/4885

“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.