Sugi Predict

Sugi Predict / Compounds / SCHEMBL4864741

SCHEMBL4864741

SCHEMBL4864741

CCC(C)OC(NS(=O)(=O)c1ccc(OC)cc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MMP9 P14780 2/20 0.45
▸ MMP2 P08253 2/20 0.45
▸ KLK5 Q9Y337 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ PSEN1 P49768 2/20 0.42
▸ PSEN2 P49810 2/20 0.42
▸ APH1B Q8WW43 2/20 0.42
▸ NCSTN Q92542 2/20 0.42
▸ APH1A Q96BI3 2/20 0.42
▸ PSENEN Q9NZ42 2/20 0.42
▸ BCL2 P10415 1/20 0.42
▸ MMP1 P03956 2/20 0.40
▸ MMP13 P45452 2/20 0.40
▸ BMP1 P13497 2/20 0.40
▸ KEAP1 Q14145 1/20 0.40
▸ MMP3 P08254 1/20 0.40

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
SCHEMBL4863791 0.87 MMP9 (0.46) MMP9MMP2KLK5ALDH1A1POLB
SCHEMBL4872257 0.87 BCL2 (0.47) MMP9MMP2KLK5ALDH1A1POLB
SCHEMBL4869468 0.83 MMP2 (0.46) MMP9MMP2KLK5MMP1MMP13
SCHEMBL4865891 0.83 MLNR (0.43) —
SCHEMBL4869989 0.83 MMP2 (0.45) MMP9MMP2KLK5MMP1MMP13
SCHEMBL4867896 0.82 MLNR (0.52) —
SCHEMBL4873734 0.81 REN (0.46) MMP9MMP2KLK5MMP1MMP13
SCHEMBL4866063 0.79 ABCB1 (0.55) —
SCHEMBL13537688 0.78 KLK5 (0.54) MMP9MMP2KLK5ALDH1A1POLB
SCHEMBL4864736 0.77 PSEN1 (0.49) 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 6 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
EP-1086076-B1 SULFONAMIDE INHIBITORS OF ASPARTYL PROTEASE VERTEX PHARMA (US) 2004-12-22 — — EP 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 MMP9 508/4885MMP2 465/4885KLK5 386/4885
US-20060172936-A1 Sulfonamide inhibitors of aspartyl protease SPINT2, PRSS1, DNPEP MMP9 508/4885MMP2 465/4885KLK5 386/4885
US-20020049201-A1 Sulfonamide inhibitors of aspartyl protease SPINT2, PRSS1, DNPEP MMP9 508/4885MMP2 465/4885KLK5 386/4885

“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.