SCHEMBL16017459

SCHEMBL16017459

C[C@@H](N[C@@H](Cc1ccc(O)cc1)C(=O)O)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 1/20 0.60
MMP8 P22894 1/20 0.60
MME P08473 5/20 0.58
FOLH1 Q04609 1/20 0.55
OPRM1 P35372 1/20 0.52
OPRD1 P41143 1/20 0.52
OPRK1 P41145 1/20 0.52
SIGMAR1 Q99720 1/20 0.51
ACE P12821 5/20 0.51
CPA1 P15085 1/20 0.50
ACE2 Q9BYF1 1/20 0.50

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
SCHEMBL12637374 0.91 SIGMAR1 (0.62) MMP9MMP8MMESIGMAR1ACE
SCHEMBL12637371 0.91 SIGMAR1 (0.62) MMP9MMP8MMESIGMAR1ACE
SCHEMBL1881900 0.91 SIGMAR1 (0.62) MMP9MMP8MMESIGMAR1ACE
SCHEMBL8197333 0.91 SIGMAR1 (0.62) MMP9MMP8MMESIGMAR1ACE
SCHEMBL1878623 0.91 SIGMAR1 (0.62) MMP9MMP8MMESIGMAR1ACE
SCHEMBL6936961 0.85 MMP8 (0.54) MMP9MMP8MMEOPRM1OPRD1
SCHEMBL2987249 0.85 FOLH1 (0.51) MMP9MMP8MMEFOLH1ACE
SCHEMBL29224714 0.84 MME (0.58) MMP9MMP8MMEFOLH1ACE
SCHEMBL2982925 0.83 FOLH1 (0.52) MMP9MMP8MMEFOLH1ACE
SCHEMBL5738141 0.83 FOLH1 (0.61) MMEFOLH1ACECPA1ACE2

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-20140256698-A1 CATHEPSIN INHIBITORS VIROBAY, INC. 2014-09-11 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-20140256698-A1 CATHEPSIN INHIBITORS CTSF, CTSZ, CTSV MMP9 206/4885MMP8 103/4885MME 59/4885

“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.