SCHEMBL4869050

SCHEMBL4869050

COc1ccc(S(=O)(=O)N(C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)OC2CCCC2)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 3/20 0.46
PSEN1 P49768 2/20 0.46
PSEN2 P49810 2/20 0.46
APH1B Q8WW43 2/20 0.46
NCSTN Q92542 2/20 0.46
APH1A Q96BI3 2/20 0.46
PSENEN Q9NZ42 2/20 0.46

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
SCHEMBL4869053 1.00 KLK5 (0.46) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL4869464 0.90 KLK5 (0.48) KLK5
SCHEMBL4869459 0.90 KLK5 (0.48) KLK5
SCHEMBL14074364 0.89 KLK5 (0.47) KLK5
SCHEMBL4869981 0.89 KLK5 (0.47) KLK5
SCHEMBL4869975 0.89 KLK5 (0.47) KLK5
SCHEMBL4872807 0.88 MLNR (0.46) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL4872813 0.88 MLNR (0.46) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL4870482 0.88 KLK5 (0.46) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL4870486 0.88 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7419967-B2 Sulfonamide inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-09-02 US disclosed
US-20060172936-A1 Sulfonamide inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED 2006-08-03 US disclosed
US-20040097594-A1 Sulfonamide inhibitors of aspartyl protease HALE MICHAEL ROBIN (US) 2004-05-20 US disclosed
US-6613743-B2 Administering to a patient suffering from viral infections a sulfonamides antiviral agents which are aspartyl protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-09-02 US disclosed
US-20020049201-A1 Sulfonamide inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED 2002-04-25 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 (3 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 386/4885PSEN1 327/4885PSEN2 524/4885
US-20060172936-A1 Sulfonamide inhibitors of aspartyl protease SPINT2, PRSS1, DNPEP KLK5 386/4885PSEN1 327/4885PSEN2 524/4885
US-20020049201-A1 Sulfonamide inhibitors of aspartyl protease SPINT2, PRSS1, DNPEP KLK5 386/4885PSEN1 327/4885PSEN2 524/4885

“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.