SCHEMBL7543084

SCHEMBL7543084

O=C(O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSS P25774 5/20 0.56
CTSL P07711 4/20 0.56
FOLH1 Q04609 2/20 0.55
CTSB P07858 3/20 0.54
CTSK P43235 2/20 0.54
SIRT5 Q9NXA8 4/20 0.53
MEN1 O00255 1/20 0.52
ALDH1A1 P00352 1/20 0.52
HPGD P15428 1/20 0.52
KMT2A Q03164 1/20 0.52
BCHE P06276 2/20 0.52
ACHE P22303 2/20 0.52
CACNA1F O60840 1/20 0.52
CACNA1D Q01668 1/20 0.52
CACNA1S Q13698 1/20 0.52
CACNA1C Q13936 1/20 0.52
CASP1 P29466 1/20 0.51
MME P08473 1/20 0.51
ECE1 P42892 1/20 0.51

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
SCHEMBL11513546 0.93 BCHE (0.60) CTSSCTSLFOLH1CTSBCTSK
SCHEMBL11513551 0.93 BCHE (0.60) CTSSCTSLFOLH1CTSBCTSK
SCHEMBL5177047 0.93 CTSS (0.56) CTSSCTSLFOLH1CTSBCTSK
SCHEMBL14433709 0.93 CTSS (0.58) CTSSCTSLFOLH1CTSBCTSK
SCHEMBL1122463 0.93 CTSS (0.58) CTSSCTSLFOLH1CTSBCTSK
SCHEMBL13884485 0.93 CTSS (0.58) CTSSCTSLFOLH1CTSBCTSK
SCHEMBL22034518 0.88 CTSS (0.58) CTSSCTSLFOLH1CTSBCTSK
SCHEMBL22034521 0.88 CTSS (0.58) CTSSCTSLFOLH1CTSBCTSK
SCHEMBL9068032 0.86 CTSS (0.57) CTSSCTSLCTSBCTSKCASP1
SCHEMBL18758793 0.85 CTSS (0.55) CTSSCTSLFOLH1CTSBCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118063540-A Solid-phase polypeptide synthesis method based on aqueous phase 国科大杭州高等研究院 2024-05-24 CN disclosed
US-20020132776-A1 Inhibitors of transglutaminase N-ZYME BIOTECH GMBH (DE) 2002-09-19 US disclosed
WO-2002036798-A2 INHIBITORS OF TRANSGLUTAMINASES N-ZYME BIOTEC GMBH (DE) 2002-05-10 WO 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-20020132776-A1 Inhibitors of transglutaminase TGM2, GNMT, TGM1 CTSS 1533/4885CTSL 1518/4885FOLH1 263/4885

“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.