SCHEMBL13617549

SCHEMBL13617549

CN(C)C[C@@H](O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 3/20 0.53
PSEN1 P49768 5/20 0.52
PSEN2 P49810 5/20 0.52
APH1B Q8WW43 5/20 0.52
NCSTN Q92542 5/20 0.52
APH1A Q96BI3 5/20 0.52
PSENEN Q9NZ42 5/20 0.52
BCL2 P10415 1/20 0.52
REN P00797 1/20 0.51
PTPN1 P18031 2/20 0.51
ENPP2 Q13822 1/20 0.48
MAOB P27338 2/20 0.47
YAP1 P46937 2/20 0.47
LTA4H P09960 1/20 0.47
HDAC8 Q9BY41 1/20 0.46
APP P05067 1/20 0.45

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
SCHEMBL496481 0.90 KLK5 (0.62) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL496479 0.90 KLK5 (0.62) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL13537629 0.88 KLK5 (0.55) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL13617957 0.88 KLK5 (0.55) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL6158094 0.88 KLK5 (0.55) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL6158017 0.88 KLK5 (0.55) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL6158009 0.88 KLK5 (0.55) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL9282654 0.85 PTPN1 (0.56) KLK5BCL2RENPTPN1YAP1
SCHEMBL24066657 0.85 PSEN1 (0.57) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL13538057 0.85 PSEN1 (0.57) 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 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 KLK5 380/4885PSEN1 314/4885PSEN2 490/4885

“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.