SCHEMBL7127966

SCHEMBL7127966

CC(C)(C)OC(=O)[C@H](NS(=O)(=O)Cc1ccc2sccc2c1)c1ccccc1.O=C(O)[C@H](NS(=O)(=O)Cc1ccc2sccc2c1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.35
MMP13 P45452 1/20 0.35
CTNNB1 P35222 2/20 0.34
WNT3A P56704 2/20 0.34
STS P08842 1/20 0.34
TP53 P04637 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
ADRB3 P13945 1/20 0.34
CA12 O43570 2/20 0.33
CA1 P00915 1/20 0.33
CA7 P43166 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPK14 Q16539 1/20 0.33
MAPT P10636 1/20 0.32
MRGPRX4 Q96LA9 1/20 0.32
SLC1A3 P43003 1/20 0.32

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
SCHEMBL7117234 0.97 CTNNB1 (0.36) ATMMMP13CTNNB1WNT3ASTS
SCHEMBL6741909 0.89 CTNNB1 (0.41) CTNNB1WNT3ATP53ADRB3CA12
SCHEMBL6734434 0.89 LY96 (0.35) MMP13ADRB3CA12CTSSCTSK
SCHEMBL6836178 0.86 CA2 (0.37) ADRB3CA12MRGPRX4CA2
SCHEMBL7116976 0.82 MMP2 (0.30) MMP13
SCHEMBL7122604 0.81 SMN1; SMN2 (0.34) MMP13TP53
SCHEMBL7059153 0.81 CYP2A6 (0.38) ATMMMP13CTNNB1WNT3AADRB3
SCHEMBL7055115 0.81 TP53 (0.36) CTNNB1WNT3ATP53ADRB3MEN1
SCHEMBL7055123 0.81 TP53 (0.36) CTNNB1WNT3ATP53ADRB3MEN1
SCHEMBL6738949 0.80 MEP1B (0.41) MMP13CTNNB1WNT3ATP53MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030134880-A1 Novel cd23 inhibitors SMITHKLINE BEECHAM P.L.C. (GB) 2003-07-17 US 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 (1 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-20030134880-A1 Novel cd23 inhibitors CD2, CD22, CD40 ATM 4421/4885MMP13 335/4885CTNNB1 2294/4885

“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.