SCHEMBL10071093

SCHEMBL10071093

C[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N1CCC[C@H]1C(=O)OC(C)(C)C

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACE P12821 9/20 0.64
YAP1 P46937 3/20 0.50
KLK7 P49862 1/20 0.49
KLK5 Q9Y337 1/20 0.48
SPHK2 Q9NRA0 1/20 0.47
SPHK1 Q9NYA1 1/20 0.47
ACE2 Q9BYF1 5/20 0.44
MAOB P27338 1/20 0.44
GYS1 P13807 1/20 0.44
PRSS1 P07477 1/20 0.44
TMPRSS15 P98073 1/20 0.44

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
SCHEMBL15223627 0.91 KLK5 (0.55) ACEKLK7KLK5ACE2
SCHEMBL10071087 0.85 ACE (0.51) ACEKLK5ACE2PRSS1TMPRSS15
SCHEMBL10071091 0.83 ACE (0.57) ACEYAP1KLK7KLK5SPHK1
SCHEMBL15222270 0.81 KLK5 (0.53) ACEKLK7KLK5
SCHEMBL10972707 0.81 ACE (0.55) ACEYAP1KLK7KLK5ACE2
SCHEMBL8366819 0.80 DPP4 (0.58) ACEKLK5PRSS1
SCHEMBL7321073 0.80 DPP4 (0.58) ACEKLK5PRSS1
SCHEMBL10083011 0.79 ACE (0.61) ACEYAP1KLK5ACE2PRSS1
SCHEMBL15223617 0.79 ACE (0.58) ACEKLK5ACE2
SCHEMBL15828140 0.79 ACE (0.58) ACEKLK5ACE2

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-20120045393-A1 LHRH-II PEPTIDE ANALOGS BRACCO IMAGING SPA (IT) 2012-02-23 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-20120045393-A1 LHRH-II PEPTIDE ANALOGS LHCGR, GNRHR, FSHR ACE 2838/4885YAP1 4053/4885KLK7 180/4885

“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.