SCHEMBL13673427

SCHEMBL13673427

COC(=O)C[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 6/20 0.60
▸ CTSS P25774 2/20 0.53
▸ CTSK P43235 2/20 0.53
▸ PSMB5 P28074 2/20 0.51
▸ GRIA1 P42261 1/20 0.51
▸ GPR139 Q6DWJ6 1/20 0.49
▸ TSHR P16473 1/20 0.48
▸ TACR1 P25103 1/20 0.48
▸ KLKB1 P03952 1/20 0.48
▸ CTSB P07858 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ USP30 Q70CQ3 1/20 0.47
▸ CTRB1 P17538 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ RAB9A P51151 1/20 0.47

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
SCHEMBL13673291 0.94 CTSL (0.58) CTSLCTSSCTSKPSMB5GPR139
SCHEMBL13673425 0.87 GAA (0.65) CTSLCTSSCTSKKLKB1GAA
SCHEMBL4364556 0.85 CTSL (0.63) CTSLCTSSCTSKPSMB5GRIA1
SCHEMBL11580063 0.84 TSHR (0.67) CTSLCTSSCTSKPSMB5GRIA1
SCHEMBL13669588 0.84 TSHR (0.67) CTSLCTSSCTSKPSMB5GRIA1
SCHEMBL4366475 0.84 TSHR (0.67) CTSLCTSSCTSKPSMB5GRIA1
SCHEMBL13669590 0.84 TSHR (0.67) CTSLCTSSCTSKPSMB5GRIA1
SCHEMBL4362716 0.84 TSHR (0.67) CTSLCTSSCTSKPSMB5GRIA1
SCHEMBL4367288 0.81 CTSL (0.58) CTSLCTSSCTSKPSMB5GRIA1
SCHEMBL13669589 0.81 CTSL (0.67) CTSLCTSSCTSKPSMB5GRIA1

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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