SCHEMBL4343556

SCHEMBL4343556

CC(C)(CCCC#N)CN(C(C1COCOC1)[C@H](O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)O)S(=O)(=O)c1ccc2c(c1)OCO2

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BMP1 P13497 11/20 0.41
ABCB1 P08183 1/20 0.36
MAPT P10636 1/20 0.33

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
SCHEMBL6051216 0.89 BMP1 (0.39) BMP1ABCB1
SCHEMBL4351114 0.84 ABCB1 (0.45) BMP1ABCB1
SCHEMBL4351110 0.84 ABCB1 (0.45) BMP1ABCB1
SCHEMBL13617831 0.81 ABCB1 (0.47) ABCB1
SCHEMBL4347252 0.81 MAPT (0.39) BMP1ABCB1MAPT
SCHEMBL13617816 0.78 ABCB1 (0.45) BMP1ABCB1
SCHEMBL4343553 0.78 BMP1 (0.37) BMP1ABCB1
SCHEMBL13617807 0.78 MLNR (0.53) ABCB1
SCHEMBL4347242 0.76 SPPL2A (0.41) BMP1ABCB1
SCHEMBL13631046 0.75 ABCB1 (0.46) ABCB1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8455497-B2 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-04 US disclosed
US-20090274650-A1 INHIBITORS OF ASPARTYL PROTEASE VERTEX PHARMACEUTICALS INCORPORATED 2009-11-05 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-20090274650-A1 INHIBITORS OF ASPARTYL PROTEASE SPINT2, DNPEP, PRSS1 BMP1 4692/4885ABCB1 628/4885MAPT 1868/4885

“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.