SCHEMBL4874005

SCHEMBL4874005

O=C(O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(OC1CCCCC1)S(=O)(=O)c1cccc(OCc2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSD P07339 7/20 0.42
BACE1 P56817 7/20 0.42
SPPL2A Q8TCT8 1/20 0.41
BACE2 Q9Y5Z0 4/20 0.40
PTGES O14684 1/20 0.40
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
GPR132 Q9UNW8 1/20 0.38

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
SCHEMBL4873997 1.00 CTSD (0.42) CTSDBACE1SPPL2ABACE2PTGES
SCHEMBL6618272 0.99 CTSD (0.41) CTSDBACE1SPPL2ABACE2PTGES
SCHEMBL4869483 0.91 ADAMTS4 (0.43) CTSD
SCHEMBL4869489 0.91 ADAMTS4 (0.43) CTSD
SCHEMBL4862414 0.90 CTSD (0.44) CTSDBACE1SPPL2ABACE2
SCHEMBL4862405 0.90 CTSD (0.44) CTSDBACE1SPPL2ABACE2
SCHEMBL4874282 0.89 KLK5 (0.43) CTSDBACE1SPPL2A
SCHEMBL4874277 0.89 KLK5 (0.43) CTSDBACE1SPPL2A
SCHEMBL4877803 0.88 CTSD (0.44) CTSDBACE1SPPL2ABACE2
SCHEMBL4877795 0.88 CTSD (0.44) CTSDBACE1SPPL2ABACE2

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 3 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-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 (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 CTSD 93/4885BACE1 69/4885SPPL2A 87/4885

“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.