SCHEMBL16754914

SCHEMBL16754914

CC(NI)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 5/20 0.36
▸ MME P08473 4/20 0.35
▸ CPA1 P15085 3/20 0.35
▸ ACE2 Q9BYF1 3/20 0.35
▸ ECE1 P42892 4/20 0.34
▸ MMP2 P08253 1/20 0.34
▸ MMP7 P09237 1/20 0.34
▸ MMP9 P14780 1/20 0.34
▸ MMP12 P39900 1/20 0.34
▸ MMP13 P45452 1/20 0.34

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
SCHEMBL28515194 0.88 ACE (0.36) ACEMMECPA1ACE2ECE1
SCHEMBL25355936 0.87 ACE (0.36) ACEMMECPA1ACE2ECE1
SCHEMBL8896490 0.87 ACE (0.41) ACEMMECPA1ACE2ECE1
SCHEMBL30781182 0.86 ACE (0.35) ACEMMECPA1ACE2ECE1
SCHEMBL18921925 0.86 ACE (0.35) ACEMMECPA1ACE2ECE1
SCHEMBL29071842 0.85 ACE (0.38) ACEMMECPA1ACE2ECE1
SCHEMBL30035137 0.85 CTRB1 (0.34) ACEMMECPA1ACE2
SCHEMBL3916119 0.84 CTRB1 (0.37) ACEMMECPA1ACE2
SCHEMBL17293240 0.84 CTRB1 (0.37) ACEMMECPA1ACE2
SCHEMBL749822 0.84 CTRB1 (0.37) ACEMMECPA1ACE2

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-20150150770-A1 METHODS OF TREATING SKIN TRACIE MARTYN INTERNATIONAL INC (US) 2015-06-04 — — 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-20150150770-A1 METHODS OF TREATING SKIN CUTA, LIPA, DLAT ACE 2659/4885MME 2696/4885CPA1 262/4885

“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.

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