SCHEMBL7136265

SCHEMBL7136265

CCC(C)[C@H](NC(C)=O)C(=O)N[C@@H](CCc1ccccc1)C(=O)COCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
CTSB P07858 2/20 0.45
CTSL P07711 2/20 0.45
CTSS P25774 1/20 0.45
MMP12 P39900 1/20 0.44
ACE P12821 3/20 0.42
MME P08473 2/20 0.42
CPA1 P15085 2/20 0.42
ACE2 Q9BYF1 2/20 0.42
CASP3 P42574 2/20 0.42
ANPEP P15144 1/20 0.42
CTSK P43235 1/20 0.41

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
SCHEMBL7139496 0.90 HPGD (0.48) MEN1KMT2ALMNASMN1; SMN2CTSB
SCHEMBL7131848 0.88 MEN1 (0.50) MEN1KMT2ALMNASMN1; SMN2CTSB
SCHEMBL7136919 0.87 MEN1 (0.44) MEN1KMT2ALMNACTSBCTSL
SCHEMBL7138103 0.87 CTSS (0.51) MEN1KMT2ALMNACTSBCTSL
SCHEMBL7796796 0.85 ACE (0.43) SMN1; SMN2CTSBCTSLCTSSMMP12
SCHEMBL7132066 0.85 HPGD (0.41) MEN1KMT2ALMNASMN1; SMN2CTSB
SCHEMBL7139609 0.85 ELANE (0.43) MEN1KMT2ALMNACTSBCTSL
SCHEMBL7133743 0.84 ELANE (0.46) MEN1KMT2ASMN1; SMN2ACEMME
SCHEMBL7136450 0.83 LMNA (0.55) MEN1KMT2ALMNASMN1; SMN2CTSB
SCHEMBL7139696 0.83 LNPEP (0.43) SMN1; SMN2CTSBCTSLCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030092634-A1 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. 2003-05-15 US disclosed
US-6506733-B1 Which process comprises hydrogenating a compound of Formula 9: presence of a catalytic amount of 20% palladium hydroxide on carbon. AXYS PHARMACEUTICALS, INC. 2003-01-14 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-20030092634-A1 Novel compounds and compositions as protease inhibitors SERPINB1, HPN, CTRL MEN1 4105/4885KMT2A 4353/4885LMNA 2624/4885

“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.