SCHEMBL16748604

SCHEMBL16748604

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

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.71
MMP2 P08253 5/20 0.41
ANPEP P15144 4/20 0.41
CTSK P43235 2/20 0.33
PEPD P12955 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
CHRNB3 Q05901 1/20 0.33
CHRNA6 Q15825 1/20 0.33
POLB P06746 1/20 0.32
CTSS P25774 1/20 0.32

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
SCHEMBL10283713 1.00 ATM (0.71) ATMMMP2ANPEPCTSKPEPD
SCHEMBL26980896 0.85 ATM (0.52) ATMCTSKPEPDCTSS
SCHEMBL16349656 0.85 ATM (0.52) ATMMMP2ANPEPCTSKPEPD
SCHEMBL26980895 0.85 ATM (0.52) ATMCTSKPEPDCTSS
SCHEMBL6126706 0.85 ATM (0.52) ATMCTSKPEPDCTSS
SCHEMBL26118721 0.85 ATM (0.52) ATMCTSKPEPDCTSS
SCHEMBL16300600 0.85 ATM (0.52) ATMMMP2ANPEPCTSKPEPD
SCHEMBL5087041 0.85 ATM (0.52) ATMCTSKPEPDCTSS
SCHEMBL16300591 0.85 ATM (0.52) ATMMMP2ANPEPCTSKPEPD
SCHEMBL12161943 0.85 ATM (0.52) ATMMMP2ANPEPCTSKPEPD

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 2 patents. 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
US-20150147309-A1 ALLOSTERIC CHAPERONES AND USES THEREOF CONSIGLIO NAZIONALE DELLE RICERCHE (IT) 2015-05-28 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 (2 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
US-20150147309-A1 ALLOSTERIC CHAPERONES AND USES THEREOF GAA, GBA3, GBA1 ATM 3834/4885MMP2 2254/4885ANPEP 603/4885

“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.