SCHEMBL5870355

SCHEMBL5870355

CC(C)C[C@H](CC(=O)n1ccc(-c2ccccc2)c1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.42
RNPEP Q9H4A4 1/20 0.42
DNPEP Q9ULA0 1/20 0.42
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MME P08473 4/20 0.38
MMP2 P08253 2/20 0.38
MMP9 P14780 2/20 0.38
MMP7 P09237 1/20 0.38
MMP12 P39900 1/20 0.38
MMP13 P45452 1/20 0.38
NTSR1 P30989 1/20 0.37
SLC1A3 P43003 1/20 0.37
SLC1A2 P43004 1/20 0.37
MMP8 P22894 1/20 0.37
GRIK1 P39086 1/20 0.36
GRIK2 Q13002 1/20 0.36
ACE P12821 2/20 0.36
PTGS2 P35354 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL5870283 1.00 ANPEP (0.42) ANPEPRNPEPDNPEPMEN1KMT2A
SCHEMBL5870636 0.81 MMP2 (0.37) ANPEPRNPEPDNPEPMEN1KMT2A
SCHEMBL6804330 0.75 CTSK (0.48) MEN1KMT2A
SCHEMBL5870417 0.70 NOTUM (0.45) ANPEPRNPEPDNPEPMEN1KMT2A
SCHEMBL5096058 0.69 IDH1 (0.44) MEN1KMT2AGAA
SCHEMBL5870352 0.69 NTSR1 (0.40) MMENTSR1ACEPTGS2GAA
SCHEMBL11473827 0.68 TSHR (0.72) ANPEPRNPEPDNPEPMEN1KMT2A
SCHEMBL5870235 0.66 DPP8 (0.57) MEN1KMT2AMMP9ACE
SCHEMBL5870531 0.66 DPP8 (0.57) MEN1KMT2AMMP9ACE
SCHEMBL18258585 0.65 PTGS2 (0.46) KMT2APTGS2GAACYP17A1

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-7132449-B2 Inhibitors of cruzipain and other cysteine proteases AMURA THERAPEUTICS LIMITED (GB) 2006-11-07 US disclosed
US-20040127424-A1 Inhibitors of cruzipain and other cysteine proteases AMURA THERAPUTICS LIMITED (GB) 2004-07-01 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-20040127424-A1 Inhibitors of cruzipain and other cysteine proteases CPN1, CTRL, CPA1 ANPEP 37/4885RNPEP 59/4885DNPEP 164/4885

“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.