SCHEMBL16017452

SCHEMBL16017452

C[C@@H](N[C@@H](Cc1nn[nH]n1)C(=O)O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NAALAD2 Q9Y3Q0 2/20 0.45
MMEL1 Q495T6 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
PIN1 Q13526 1/20 0.42
KEAP1 Q14145 1/20 0.41
FFAR2 O15552 2/20 0.41
APAF1 O14727 1/20 0.40
APEX1 P27695 1/20 0.40
MME P08473 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL3458243 0.76 ALDH1A1 (0.53) L3MBTL1FFAR2HTT
SCHEMBL12637374 0.76 SIGMAR1 (0.62) L3MBTL1APAF1MME
SCHEMBL1878623 0.76 SIGMAR1 (0.62) L3MBTL1APAF1MME
SCHEMBL8197333 0.76 SIGMAR1 (0.62) L3MBTL1APAF1MME
SCHEMBL1881900 0.76 SIGMAR1 (0.62) L3MBTL1APAF1MME
SCHEMBL12637371 0.76 SIGMAR1 (0.62) L3MBTL1APAF1MME
SCHEMBL27710941 0.74 L3MBTL1 (0.47) NAALAD2L3MBTL1PIN1KEAP1FFAR2
SCHEMBL652495 0.73 MEN1 (0.56) APAF1MME
SCHEMBL16017459 0.71 MMP9 (0.60) MME
SCHEMBL17530041 0.71 MMP9 (0.55) APAF1MME

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 NAALAD2 64/4885MMEL1 83/4885L3MBTL1 1399/4885

“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.