SCHEMBL13618023

SCHEMBL13618023

CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)[C@H](O)CNCC1CCCC1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
YAP1 P46937 3/20 0.51
REN P00797 6/20 0.50
KLK5 Q9Y337 3/20 0.50
PSMB1 P20618 2/20 0.50
PSMB8 P28062 2/20 0.50
PSMB9 P28065 2/20 0.50
PSMB5 P28074 2/20 0.50
PSMB10 P40306 1/20 0.50
PSMB2 P49721 1/20 0.50
BCL2 P10415 1/20 0.47
PTPN1 P18031 1/20 0.46
ACE P12821 1/20 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
SCHEMBL5220702 0.91 REN (0.58) RENKLK5
SCHEMBL30318981 0.91 REN (0.58) RENKLK5
SCHEMBL4338707 0.88 ENPP2 (0.46) YAP1
SCHEMBL4338710 0.88 ENPP2 (0.46) YAP1
SCHEMBL5386298 0.88 KLK5 (0.57) RENKLK5
SCHEMBL5386289 0.88 KLK5 (0.57) RENKLK5
SCHEMBL7312642 0.87 KLK5 (0.52) YAP1RENKLK5BCL2PTPN1
SCHEMBL13630987 0.86 REN (0.54) YAP1RENKLK5BCL2PTPN1
SCHEMBL5945448 0.86 REN (0.54) YAP1RENKLK5BCL2PTPN1
SCHEMBL24066704 0.84 KLK5 (0.50) YAP1RENKLK5BCL2PTPN1

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 4 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-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
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 YAP1 4559/4885REN 796/4885KLK5 380/4885

“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.