SCHEMBL842056

SCHEMBL842056

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

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 1/20 0.45
KMT2A Q03164 1/20 0.41
METAP2 P50579 5/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 1/20 0.39
BLM P54132 1/20 0.39
EPHX1 P07099 1/20 0.38
SIGMAR1 Q99720 1/20 0.37
METAP1 P53582 1/20 0.36
ANPEP P15144 1/20 0.34
DNPEP Q9ULA0 1/20 0.34
EPHX2 P34913 1/20 0.34
XIAP P98170 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL2362012 1.00 SMYD3 (0.45) SMYD3KMT2AMETAP2L3MBTL1LMNA
Hydrochloric Acid SCHEMBL14974708 0.98 SMYD3 (0.44) SMYD3KMT2AMETAP2L3MBTL1LMNA
Hydrochloric Acid SCHEMBL2377127 0.98 SMYD3 (0.44) SMYD3KMT2AMETAP2L3MBTL1LMNA
Hydrochloric Acid SCHEMBL2376124 0.98 SMYD3 (0.44) SMYD3KMT2AMETAP2L3MBTL1LMNA
SCHEMBL8013263 0.93 EPHX1 (0.46) SMYD3METAP2EPHX1SIGMAR1EPHX2
SCHEMBL329101 0.86 SMYD3 (0.43) SMYD3KMT2AMETAP2LMNABLM
SCHEMBL3045972 0.86 SMYD3 (0.43) SMYD3KMT2AMETAP2LMNABLM
SCHEMBL328991 0.86 SMYD3 (0.43) SMYD3KMT2AMETAP2LMNABLM
SCHEMBL2331995 0.86 SMYD3 (0.43) SMYD3KMT2AMETAP2LMNABLM
SCHEMBL329193 0.86 SMYD3 (0.43) SMYD3KMT2AMETAP2LMNABLM

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2782903-B1 NOVEL PYRROLIDINE DERIVATIVES AS INHIBITORS OF CATHEPSIN HOFFMANN LA ROCHE (CH) 2016-04-06 EP disclosed
EP-2782903-A1 NOVEL PYRROLIDINE DERIVATIVES AS INHIBITORS OF CATHEPSIN F.HOFFMANN-LA ROCHE AG (CH) 2014-10-01 EP disclosed
US-8729061-B2 Pyrrolidine derivatives HOFFMANN-LA ROCHE INC. (US) 2014-05-20 US disclosed
US-20130137687-A1 NOVEL PYRROLIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-05-30 US disclosed
WO-2013076063-A1 NOVEL PYRROLIDINE DERIVATIVES AS INHIBITORS OF CATHEPSIN F. HOFFMANN-LA ROCHE AG (CH) 2013-05-30 WO disclosed
US-8431733-B2 Process for the preparation of (3S)-3-amino-N-cyclopropyl-2-hydroxyalkanamide derivatives VIROBAY, INC. (US) 2013-04-30 US disclosed
US-8431733-B2 Process for the preparation of (3S)-3-amino-N-cyclopropyl-2-hydroxyalkanamide derivatives VIROBAY, INC. (US) 2013-04-30 US disclosed
US-8431733-B2 Process for the preparation of (3S)-3-amino-N-cyclopropyl-2-hydroxyalkanamide derivatives VIROBAY, INC. (US) 2013-04-30 US disclosed
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-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
US-20090312571-A1 PROCESS FOR THE PREPARATION OF (3S)-3-AMINO-N-CYCLOPROPYL-2-HYDROXYALKANAMIDE DERIVATIVES VIROBAY, INC. (US) 2009-12-17 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
WO-2009152474-A2 PROCESS FOR THE PREPARATION OF (3S)-3-AMINO-N-CYCLOPROPYL-2-HYDROXYALKANAMIDE DERIVATIVES VIROBAY, INC. (US) 2009-12-17 WO disclosed
WO-2009114633-A1 PROCESS FOR THE PREPARATION OF (3S)-3-AMINO-N-CYCLOPROPYL-2-HYDROXYALKANAMIDE DERIVATIVES VIROBAY, INC. (US) 2009-09-17 WO disclosed
WO-2009114633-A1 PROCESS FOR THE PREPARATION OF (3S)-3-AMINO-N-CYCLOPROPYL-2-HYDROXYALKANAMIDE DERIVATIVES VIROBAY, INC. (US) 2009-09-17 WO disclosed
US-20090234127-A1 PROCESS FOR THE PREPARATION OF (3S)-3-AMINO-N-CYCLOPROPYL-2-HYDROXYALKANAMIDE DERIVATIVES VIROBAY, INC. (US) 2009-09-17 US disclosed
US-20090234127-A1 PROCESS FOR THE PREPARATION OF (3S)-3-AMINO-N-CYCLOPROPYL-2-HYDROXYALKANAMIDE DERIVATIVES VIROBAY, INC. (US) 2009-09-17 US disclosed
US-20090234127-A1 PROCESS FOR THE PREPARATION OF (3S)-3-AMINO-N-CYCLOPROPYL-2-HYDROXYALKANAMIDE DERIVATIVES VIROBAY, INC. (US) 2009-09-17 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 (3 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-20090234127-A1 PROCESS FOR THE PREPARATION OF (3S)-3-AMINO-N-CYCLOPROPYL-2-HYDROXYALKANAMIDE DERIVATIVES CTSS, CTSV, CTSE SMYD3 2651/4885KMT2A 3277/4885METAP2 129/4885
US-20130137687-A1 NOVEL PYRROLIDINE DERIVATIVES PYCR1, PRMT7, PRLHR SMYD3 3271/4885KMT2A 3686/4885METAP2 4460/4885
US-20090312571-A1 PROCESS FOR THE PREPARATION OF (3S)-3-AMINO-N-CYCLOPROPYL-2-HYDROXYALKANAMIDE DERIVATIVES HCN3, NPEPPS, HACL2 SMYD3 713/4885KMT2A 2389/4885METAP2 1274/4885

“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.