SCHEMBL6784972

SCHEMBL6784972

COCOc1ccc(S(=O)(=O)NC(OC2CCCC2)[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 3/20 0.43
BCL2 P10415 1/20 0.42
REN P00797 2/20 0.42
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
ALDH1A1 P00352 2/20 0.38
POLB P06746 1/20 0.38
USP30 Q70CQ3 3/20 0.38
PSEN1 P49768 2/20 0.38
PSEN2 P49810 2/20 0.38
APH1B Q8WW43 2/20 0.38
NCSTN Q92542 2/20 0.38
APH1A Q96BI3 2/20 0.38
PSENEN Q9NZ42 2/20 0.38
MAPT P10636 1/20 0.37

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
SCHEMBL4869468 0.92 MMP2 (0.46) KLK5RENMMP2MMP9
SCHEMBL4869989 0.91 MMP2 (0.45) KLK5RENMMP2MMP9
SCHEMBL4869058 0.85 KLK5 (0.43) KLK5REN
SCHEMBL4872818 0.84 KLK5 (0.42) KLK5RENUSP30PSEN1PSEN2
SCHEMBL4872197 0.82 CTSD (0.47) MMP2MMP9
SCHEMBL4869287 0.82 CTSD (0.47) MMP2MMP9
SCHEMBL4873734 0.81 REN (0.46) KLK5RENMMP2MMP9
SCHEMBL7568281 0.80 KLK5 (0.45) KLK5BCL2RENPSEN1PSEN2
SCHEMBL5964807 0.79 KLK5 (0.46) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL5964803 0.79 KLK5 (0.46) KLK5PSEN1PSEN2APH1BNCSTN

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-20040097594-A1 Sulfonamide inhibitors of aspartyl protease HALE MICHAEL ROBIN (US) 2004-05-20 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-20040097594-A1 Sulfonamide inhibitors of aspartyl protease SPINT2, PRSS1, DNPEP KLK5 386/4885BCL2 1786/4885REN 850/4885

“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.