SCHEMBL842048

SCHEMBL842048

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

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 1/20 0.40
RAB9A P51151 1/20 0.40
EPHX1 P07099 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CTSB P07858 7/20 0.36
CTSL P07711 6/20 0.36
CTSK P43235 6/20 0.36
CTSS P25774 5/20 0.36
SMYD3 Q9H7B4 1/20 0.35

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
SCHEMBL842049 1.00 SMN1; SMN2 (0.40) SMN1; SMN2GAARAB9AEPHX1KDM4E
SCHEMBL12467348 0.89 SMN1; SMN2 (0.37) SMN1; SMN2GAARAB9AEPHX1KDM4E
SCHEMBL8236530 0.84 SMN1; SMN2 (0.39) SMN1; SMN2GAARAB9AEPHX1KDM4E
SCHEMBL11936283 0.84 SMN1; SMN2 (0.39) SMN1; SMN2GAARAB9AEPHX1KDM4E
SCHEMBL16328219 0.83 SMN1; SMN2 (0.38) SMN1; SMN2GAARAB9AEPHX1KDM4E
SCHEMBL13338252 0.83 SMN1; SMN2 (0.38) SMN1; SMN2GAARAB9AEPHX1KDM4E
SCHEMBL11985580 0.83 CTSB (0.38) SMN1; SMN2GAARAB9AEPHX1KDM4E
SCHEMBL11985586 0.83 CTSB (0.38) SMN1; SMN2GAARAB9AEPHX1KDM4E
SCHEMBL15338725 0.82 SMN1; SMN2 (0.37) SMN1; SMN2GAARAB9AEPHX1KDM4E
SCHEMBL12468295 0.81 SMN1; SMN2 (0.47) SMN1; SMN2GAARAB9AEPHX1KDM4E

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
US-20090312571-A1 PROCESS FOR THE PREPARATION OF (3S)-3-AMINO-N-CYCLOPROPYL-2-HYDROXYALKANAMIDE DERIVATIVES VIROBAY, INC. (US) 2009-12-17 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

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 SMN1; SMN2 3506/4885GAA 794/4885RAB9A 1767/4885

“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.