SCHEMBL842268

SCHEMBL842268

CCC(C(OC(C)=O)C(=O)NC1CC1)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.48
MAPT P10636 2/20 0.46
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.43
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
YAP1 P46937 1/20 0.40
TEAD4 Q15561 1/20 0.40
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
SLC18A3 Q16572 1/20 0.38
PTGES O14684 1/20 0.38
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL842267 1.00 TP53 (0.48) TP53MAPTTSHRSMN1; SMN2KMT2A
SCHEMBL842533 0.91 TP53 (0.46) TP53MAPTTSHRSMN1; SMN2KMT2A
SCHEMBL842534 0.91 TP53 (0.46) TP53MAPTTSHRSMN1; SMN2KMT2A
SCHEMBL842686 0.87 TP53 (0.45) TP53MAPTTSHRSMN1; SMN2KMT2A
SCHEMBL4464946 0.87 TP53 (0.45) TP53MAPTTSHRSMN1; SMN2KMT2A
SCHEMBL842685 0.87 TP53 (0.45) TP53MAPTTSHRSMN1; SMN2KMT2A
SCHEMBL4464954 0.87 TP53 (0.45) TP53MAPTTSHRSMN1; SMN2KMT2A
SCHEMBL4324743 0.82 TP53 (0.49) TP53MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL842349 0.82 TP53 (0.49) TP53MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL4328417 0.77 HPGD (0.45) TP53MAPTTSHRSMN1; SMN2KMT2A

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 4 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 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
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

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 TP53 4855/4885MAPT 3321/4885TSHR 4033/4885

“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.