SCHEMBL19083751

SCHEMBL19083751

CC(=O)N1C[C@@H](C#N)C[C@H]1C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.58
MMP2 P08253 4/20 0.37
ANPEP P15144 3/20 0.37
CTSB P07858 2/20 0.31
CAPN1 P07384 1/20 0.31
CTSL P07711 1/20 0.30
CTSS P25774 1/20 0.30

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
SCHEMBL16313054 0.89 ATM (0.43) ATMMMP2ANPEPCTSBCTSL
SCHEMBL16312981 0.89 ATM (0.43) ATMMMP2ANPEPCTSBCTSL
SCHEMBL22029860 0.85 ATM (0.39) ATM
SCHEMBL6592886 0.85 ATM (0.39) ATM
SCHEMBL21196005 0.85 ATM (0.39) ATM
SCHEMBL752261 0.85 ATM (0.39) ATM
SCHEMBL31037771 0.85 ATM (0.39) ATM
SCHEMBL19075597 0.81 ATM (0.38) ATM
SCHEMBL21195923 0.78 ATM (0.35) ATM
SCHEMBL20218341 0.78 ATM (0.35) ATM

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-20170190662-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-07-06 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-20170190662-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF RDX, C1R, MTX1 ATM 4395/4885MMP2 1235/4885ANPEP 2890/4885

“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.