SCHEMBL841382

SCHEMBL841382

CCC[C@@H]([C@H](O)C(=O)NC1CC1)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.47
MAPT P10636 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
GPR88 Q9GZN0 1/20 0.41
PTGES O14684 1/20 0.40
UBE2M P61081 2/20 0.39
DCUN1D1 Q96GG9 2/20 0.39
METAP2 P50579 1/20 0.39
YAP1 P46937 1/20 0.39
TEAD4 Q15561 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP2D6 P10635 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
XIAP P98170 1/20 0.39

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
SCHEMBL4329166 1.00 TP53 (0.47) TP53MAPTSMN1; SMN2GPR88PTGES
SCHEMBL842349 0.90 TP53 (0.49) TP53MAPTSMN1; SMN2PTGESYAP1
SCHEMBL4324743 0.90 TP53 (0.49) TP53MAPTSMN1; SMN2PTGESYAP1
SCHEMBL329042 0.89 TP53 (0.44) TP53MAPTSMN1; SMN2GPR88PTGES
SCHEMBL842533 0.83 TP53 (0.46) TP53MAPTSMN1; SMN2GPR88UBE2M
SCHEMBL842534 0.83 TP53 (0.46) TP53MAPTSMN1; SMN2GPR88UBE2M
SCHEMBL842299 0.82 TP53 (0.44) TP53MAPTSMN1; SMN2PTGESMETAP2
SCHEMBL4543851 0.80 LMNA (0.42) MEN1KMT2AALDH1A1LMNA
SCHEMBL4365645 0.80 LMNA (0.42) MEN1KMT2AALDH1A1LMNA
SCHEMBL1445825 0.80 TP53 (0.43) TP53MAPTSMN1; SMN2GPR88PTGES

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
US-8143448-B2 Process for the preparation of (3S)-3-amino-N-cyclopropyl-2-hydroxyalkanamide derivatives VIROBAY, INC. (US) 2012-03-27 US claimed
WO-2009152474-A2 PROCESS FOR THE PREPARATION OF (3S)-3-AMINO-N-CYCLOPROPYL-2-HYDROXYALKANAMIDE DERIVATIVES VIROBAY, INC. (US) 2009-12-17 WO claimed
US-20090312571-A1 PROCESS FOR THE PREPARATION OF (3S)-3-AMINO-N-CYCLOPROPYL-2-HYDROXYALKANAMIDE DERIVATIVES VIROBAY, INC. (US) 2009-12-17 US claimed
WO-2009114633-A1 PROCESS FOR THE PREPARATION OF (3S)-3-AMINO-N-CYCLOPROPYL-2-HYDROXYALKANAMIDE DERIVATIVES VIROBAY, INC. (US) 2009-09-17 WO claimed
US-20090234127-A1 PROCESS FOR THE PREPARATION OF (3S)-3-AMINO-N-CYCLOPROPYL-2-HYDROXYALKANAMIDE DERIVATIVES VIROBAY, INC. (US) 2009-09-17 US claimed
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-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
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
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-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 (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-20090234127-A1 PROCESS FOR THE PREPARATION OF (3S)-3-AMINO-N-CYCLOPROPYL-2-HYDROXYALKANAMIDE DERIVATIVES CTSS, CTSV, CTSE TP53 3941/4885MAPT 3812/4885SMN1; SMN2 4304/4885
US-20090312571-A1 PROCESS FOR THE PREPARATION OF (3S)-3-AMINO-N-CYCLOPROPYL-2-HYDROXYALKANAMIDE DERIVATIVES HCN3, NPEPPS, HACL2 TP53 4855/4885MAPT 3321/4885SMN1; SMN2 3506/4885

“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.