SCHEMBL13673291

SCHEMBL13673291

COC(=O)C[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 6/20 0.58
▸ CTSS P25774 3/20 0.58
▸ CTSK P43235 3/20 0.58
▸ PSMB5 P28074 2/20 0.56
▸ GPR139 Q6DWJ6 1/20 0.54
▸ CTRB1 P17538 2/20 0.52
▸ CTSB P07858 2/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ GAA P10253 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ CTSG P08311 1/20 0.50
▸ TACR1 P25103 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ GLA P06280 1/20 0.50
▸ PIN1 Q13526 1/20 0.50

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
SCHEMBL13673427 0.94 CTSL (0.60) CTSLCTSSCTSKPSMB5GPR139
SCHEMBL13673425 0.90 GAA (0.65) CTSLCTSSCTSKGAARAB9A
SCHEMBL16667786 0.84 GAA (0.62) CTSLCTSSCTSKPSMB5GAA
SCHEMBL14479041 0.84 CTSL (0.52) CTSLCTSSCTSKPSMB5GPR139
SCHEMBL4372161 0.83 CTSL (0.61) CTSLCTSSCTSKPSMB5CTRB1
SCHEMBL13669573 0.82 GAA (0.69) CTSLCTSSCTSKPSMB5GPR139
SCHEMBL4369272 0.82 GAA (0.69) CTSLCTSSCTSKPSMB5GPR139
Aurantiamide Acetate SCHEMBL30532189 0.81 CTSL (0.71) CTSLCTSSCTSKPSMB5GPR139
Aurantiamide Acetate SCHEMBL31084254 0.81 CTSL (0.71) CTSLCTSSCTSKPSMB5GPR139
Aurantiamide Acetate SCHEMBL30004267 0.81 CTSL (0.71) CTSLCTSSCTSKPSMB5GPR139

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090247470-A1 PHENYLALANINE DIPEPTIDE DERIVATIVES, COMPOSITIONS AND USE THEREOF The Key Lab. Of Chemistry for Natural Products of Guizhou Province and Chinese Acad. of Sciences (CN) 2009-10-01 — — 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-20090247470-A1 PHENYLALANINE DIPEPTIDE DERIVATIVES, COMPOSITIONS AND USE THEREOF DNPEP, PEPD, VIP CTSL 591/4885CTSS 3153/4885CTSK 2637/4885

“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.

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