SCHEMBL22649189

SCHEMBL22649189

NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 1/20 0.60
▸ ALPI P09923 1/20 0.56
▸ PKM P14618 1/20 0.56
▸ PTGS1 P23219 1/20 0.56
▸ XIAP P98170 1/20 0.56
▸ SLC7A5 Q01650 1/20 0.56
▸ FCER2 P06734 2/20 0.55
▸ MMP1 P03956 1/20 0.55

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
SCHEMBL22925587 1.00 CTSC (0.60) CTSCALPIPKMPTGS1XIAP
SCHEMBL29372257 1.00 CTSC (0.60) CTSCALPIPKMPTGS1XIAP
SCHEMBL10049933 1.00 CTSC (0.60) CTSCALPIPKMPTGS1XIAP
SCHEMBL27755089 0.93 ACE (0.60) —
Trifluoroacetic Acid SCHEMBL30164220 0.93 PTPN1 (0.54) CTSCFCER2MMP1
SCHEMBL29437738 0.93 ACE (0.60) —
SCHEMBL30995919 0.92 MME (0.55) CTSC
SCHEMBL22147415 0.92 CTSC (0.52) CTSCFCER2MMP1
SCHEMBL31289124 0.92 MC4R (0.60) CTSCFCER2
SCHEMBL31242458 0.91 CTSC (0.57) CTSCALPIPKMPTGS1XIAP

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-20200354404-A1 PEPTIDOMIMETIC AGENTS, SYNTHESIS AND USES THEREOF THE FEINSTEIN INSTITUTES FOR MEDICAL RESEARCH (US) 2020-11-12 — — US disclosed
WO-2020227588-A1 PEPTIDOMIMETIC AGENTS, SYNTHESIS AND USES THEREOF THE FEINSTEIN INSTITUTES FOR MEDICAL RESEARCH (US) 2020-11-12 — — 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-20200354404-A1 PEPTIDOMIMETIC AGENTS, SYNTHESIS AND USES THEREOF DNPEP, PEPD, ANPEP CTSC 28/4885ALPI 4393/4885PKM 1327/4885

“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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