SCHEMBL13630987

SCHEMBL13630987

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

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
REN P00797 1/20 0.54
KLK5 Q9Y337 2/20 0.52
BCL2 P10415 1/20 0.51
PTPN1 P18031 2/20 0.49
PSEN1 P49768 3/20 0.49
PSEN2 P49810 3/20 0.49
APH1B Q8WW43 3/20 0.49
NCSTN Q92542 3/20 0.49
APH1A Q96BI3 3/20 0.49
PSENEN Q9NZ42 3/20 0.49
ATM Q13315 1/20 0.48
APP P05067 1/20 0.48
ENPP2 Q13822 1/20 0.47
YAP1 P46937 2/20 0.46

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
SCHEMBL5945448 1.00 REN (0.54) RENKLK5BCL2PTPN1PSEN1
SCHEMBL7312642 0.93 KLK5 (0.52) RENKLK5BCL2PTPN1PSEN1
SCHEMBL24066724 0.92 KLK5 (0.50) RENKLK5BCL2PTPN1PSEN1
SCHEMBL12103325 0.91 KLK5 (0.61) RENKLK5PSEN1PSEN2APH1B
SCHEMBL1104912 0.91 KLK5 (0.61) RENKLK5PSEN1PSEN2APH1B
SCHEMBL8222457 0.91 KLK5 (0.61) RENKLK5PSEN1PSEN2APH1B
SCHEMBL691498 0.91 KLK5 (0.61) RENKLK5PSEN1PSEN2APH1B
SCHEMBL19261937 0.91 KLK5 (0.61) RENKLK5PSEN1PSEN2APH1B
SCHEMBL1236129 0.91 KLK5 (0.61) RENKLK5PSEN1PSEN2APH1B
SCHEMBL24066704 0.90 KLK5 (0.50) RENKLK5BCL2PTPN1PSEN1

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-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 REN 796/4885KLK5 380/4885BCL2 1781/4885

“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.