SCHEMBL7562033

SCHEMBL7562033

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

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
REN P00797 10/20 0.46
KLK5 Q9Y337 3/20 0.45
CACNA1B Q00975 1/20 0.45
MMP1 P03956 1/20 0.43
MMP9 P14780 1/20 0.43
MMP13 P45452 1/20 0.43
ADAM17 P78536 1/20 0.43

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
SCHEMBL6618902 0.87 KLK5 (0.46) KLK5MMP1MMP9MMP13
SCHEMBL4863780 0.85 KLK5 (0.45) KLK5MMP1MMP9MMP13
SCHEMBL7568281 0.81 KLK5 (0.45) RENKLK5
SCHEMBL4873734 0.80 REN (0.46) RENKLK5CACNA1BMMP1MMP9
SCHEMBL4873723 0.79 REN (0.47) REN
SCHEMBL4873727 0.79 REN (0.47) REN
SCHEMBL7563179 0.79 HTT (0.43) MMP1MMP9MMP13
SCHEMBL6617093 0.78 ATM (0.43)
SCHEMBL6617619 0.77 MMP1 (0.45) MMP1MMP9MMP13
SCHEMBL7587059 0.75 MLNR (0.45)

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-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 (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-20020049201-A1 Sulfonamide inhibitors of aspartyl protease SPINT2, PRSS1, DNPEP REN 850/4885KLK5 386/4885CACNA1B 3890/4885

“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.