SCHEMBL7122604

SCHEMBL7122604

CC(C)(C)OC(=O)[C@@H](NS(=O)(=O)Cc1ccc2sccc2c1)c1ccccc1.CC(C)(C)OC(=O)[C@@H](c1ccccc1)N(Cc1cccnc1)S(=O)(=O)Cc1ccc2sccc2c1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.34
GRM2 Q14416 7/20 0.34
MMP13 P45452 1/20 0.33
ADAMTS4 O75173 1/20 0.32
ALDH1A1 P00352 2/20 0.32
CYP3A4 P08684 2/20 0.32
TSHR P16473 2/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
NAMPT P43490 2/20 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 0.84 CTNNB1 (0.36) MMP13TP53
SCHEMBL7116976 0.83 MMP2 (0.30) MMP13
SCHEMBL7545020 0.82 GRM2 (0.40) SMN1; SMN2GRM2ADAMTS4LMNATP53
SCHEMBL7545007 0.82 GRM2 (0.40) SMN1; SMN2GRM2ADAMTS4LMNATP53
SCHEMBL7545000 0.82 GRM2 (0.40) SMN1; SMN2GRM2ADAMTS4LMNATP53
SCHEMBL7127966 0.81 ATM (0.35) MMP13TP53
SCHEMBL7115873 0.81 MMP2 (0.40) SMN1; SMN2GRM2MMP13ADAMTS4LMNA
SCHEMBL7115876 0.81 MMP2 (0.40) SMN1; SMN2GRM2MMP13ADAMTS4LMNA
SCHEMBL7115880 0.81 MMP2 (0.40) SMN1; SMN2GRM2MMP13ADAMTS4LMNA
SCHEMBL7114239 0.78 MMP2 (0.35) MMP13

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 SMN1; SMN2 3194/4885GRM2 1948/4885MMP13 335/4885

“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.