SCHEMBL27428889

SCHEMBL27428889

CC(=O)CN(C)C(=O)[C@H](Cc1cccnc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 6/20 0.48
▸ CTSB P07858 6/20 0.48
▸ ADORA3 P0DMS8 1/20 0.42
▸ ADORA2A P29274 1/20 0.42
▸ ADORA2B P29275 1/20 0.42
▸ ADORA1 P30542 1/20 0.42
▸ CYP3A4 P08684 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ REN P00797 3/20 0.40
▸ PSMB8 P28062 1/20 0.40
▸ PSMB5 P28074 1/20 0.40
▸ CTSS P25774 2/20 0.39
▸ CTSK P43235 2/20 0.39
▸ KISS1R Q969F8 1/20 0.39

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
SCHEMBL27428946 0.96 CTSL (0.49) CTSLCTSBADORA3ADORA2AADORA2B
SCHEMBL30918356 0.96 CTSL (0.49) CTSLCTSBADORA3ADORA2AADORA2B
SCHEMBL27428885 0.90 CTSB (0.49) CTSLCTSBCYP3A4TSHRPSMB8
SCHEMBL30918318 0.90 CTSL (0.53) CTSLCTSBADORA3ADORA2AADORA2B
SCHEMBL27428888 0.88 KISS1R (0.40) CTSLCTSBCYP3A4RENKISS1R
SCHEMBL30918364 0.86 CTSB (0.49) CTSLCTSBCYP3A4PSMB8PSMB5
SCHEMBL27428952 0.86 CTSB (0.49) CTSLCTSBCYP3A4PSMB8PSMB5
SCHEMBL30918360 0.84 KISS1R (0.39) CTSLCTSBCYP3A4RENKISS1R
SCHEMBL27428795 0.84 REN (0.39) CTSLCTSBCYP3A4RENKISS1R
SCHEMBL27389168 0.84 KISS1R (0.39) CTSLCTSBCYP3A4RENKISS1R

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-20240218014-A1 SYNTHESIS OF A CYCLIC PEPTIDE JANSSEN PHARMACEUTICA NV (BE) 2024-07-04 — — 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-20240218014-A1 SYNTHESIS OF A CYCLIC PEPTIDE VIP, QPCT, PTMS CTSL 743/4885CTSB 1288/4885ADORA3 4732/4885

“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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