SCHEMBL841614

SCHEMBL841614

C=C(C)N[C@@H](CCC)C(=O)C(=O)NC1CC1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.37
CTSB P07858 8/20 0.36
CTSL P07711 7/20 0.36
CTSK P43235 7/20 0.36
CTSS P25774 6/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
GAA P10253 1/20 0.35
RAB9A P51151 1/20 0.35
EPHX1 P07099 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SMYD3 Q9H7B4 1/20 0.33

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
SCHEMBL841615 1.00 L3MBTL1 (0.37) L3MBTL1CTSBCTSLCTSKCTSS
SCHEMBL8236530 0.88 SMN1; SMN2 (0.39) L3MBTL1CTSBCTSLCTSKCTSS
SCHEMBL11936283 0.88 SMN1; SMN2 (0.39) L3MBTL1CTSBCTSLCTSKCTSS
SCHEMBL11985580 0.83 CTSB (0.38) L3MBTL1CTSBCTSLCTSKCTSS
SCHEMBL11985586 0.83 CTSB (0.38) L3MBTL1CTSBCTSLCTSKCTSS
SCHEMBL842048 0.81 SMN1; SMN2 (0.40) CTSBCTSLCTSKCTSSSMN1; SMN2
SCHEMBL842049 0.81 SMN1; SMN2 (0.40) CTSBCTSLCTSKCTSSSMN1; SMN2
SCHEMBL16328219 0.81 SMN1; SMN2 (0.38) L3MBTL1CTSBCTSLCTSKCTSS
SCHEMBL13338252 0.81 SMN1; SMN2 (0.38) L3MBTL1CTSBCTSLCTSKCTSS
SCHEMBL14416450 0.81 CTSB (0.38) CTSBCTSLCTSKCTSS

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143448-B2 Process for the preparation of (3S)-3-amino-N-cyclopropyl-2-hydroxyalkanamide derivatives VIROBAY, INC. (US) 2012-03-27 US disclosed
WO-2009152474-A2 PROCESS FOR THE PREPARATION OF (3S)-3-AMINO-N-CYCLOPROPYL-2-HYDROXYALKANAMIDE DERIVATIVES VIROBAY, INC. (US) 2009-12-17 WO disclosed
US-20090312571-A1 PROCESS FOR THE PREPARATION OF (3S)-3-AMINO-N-CYCLOPROPYL-2-HYDROXYALKANAMIDE DERIVATIVES VIROBAY, INC. (US) 2009-12-17 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-20090312571-A1 PROCESS FOR THE PREPARATION OF (3S)-3-AMINO-N-CYCLOPROPYL-2-HYDROXYALKANAMIDE DERIVATIVES HCN3, NPEPPS, HACL2 L3MBTL1 4805/4885CTSB 746/4885CTSL 693/4885

“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.