SCHEMBL4873734

SCHEMBL4873734

COc1ccc(S(=O)(=O)NC(OCC2CCCCC2)[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
REN P00797 8/20 0.46
CACNA1B Q00975 2/20 0.45
MMP2 P08253 2/20 0.44
MMP9 P14780 1/20 0.44
KLK5 Q9Y337 2/20 0.43
HTT P42858 1/20 0.42
MMP1 P03956 1/20 0.41
MMP3 P08254 1/20 0.41
MMP7 P09237 1/20 0.41
MMP13 P45452 1/20 0.41

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
SCHEMBL4869989 0.89 MMP2 (0.45) RENCACNA1BMMP2MMP9KLK5
SCHEMBL4869468 0.88 MMP2 (0.46) RENCACNA1BMMP2MMP9KLK5
SCHEMBL4872257 0.87 BCL2 (0.47) MMP2MMP9KLK5MMP1MMP3
SCHEMBL4863791 0.85 MMP9 (0.46) MMP2MMP9KLK5MMP1MMP13
SCHEMBL4864741 0.81 MMP9 (0.45) MMP2MMP9KLK5MMP1MMP3
SCHEMBL6784972 0.81 KLK5 (0.43) RENMMP2MMP9KLK5
SCHEMBL7562033 0.80 REN (0.46) RENCACNA1BMMP9KLK5MMP1
SCHEMBL4873723 0.79 REN (0.47) REN
SCHEMBL4873727 0.79 REN (0.47) REN
SCHEMBL4869058 0.78 KLK5 (0.43) RENCACNA1BKLK5

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 REN 850/4885CACNA1B 3890/4885MMP2 465/4885
US-20060172936-A1 Sulfonamide inhibitors of aspartyl protease SPINT2, PRSS1, DNPEP REN 850/4885CACNA1B 3890/4885MMP2 465/4885
US-20020049201-A1 Sulfonamide inhibitors of aspartyl protease SPINT2, PRSS1, DNPEP REN 850/4885CACNA1B 3890/4885MMP2 465/4885

“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.