SCHEMBL27428796

SCHEMBL27428796

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

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 2/20 0.54
▸ ECE1 P42892 2/20 0.54
▸ ADORA3 P0DMS8 1/20 0.49
▸ ADORA2A P29274 1/20 0.49
▸ ADORA2B P29275 1/20 0.49
▸ ADORA1 P30542 1/20 0.49
▸ PSMB1 P20618 1/20 0.48
▸ CTSL P07711 2/20 0.47
▸ PPARG P37231 1/20 0.47
▸ PPARA Q07869 1/20 0.47
▸ PSMB5 P28074 3/20 0.47
▸ PSMB8 P28062 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ REN P00797 1/20 0.46
▸ CTSK P43235 1/20 0.46
▸ ACE P12821 1/20 0.46

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
SCHEMBL4958111 0.89 MME (0.55) MMEECE1CTSLPPARAPSMB5
SCHEMBL5972669 0.89 MME (0.55) MMEECE1CTSLPPARAPSMB5
SCHEMBL30918318 0.88 CTSL (0.53) MMEECE1ADORA3ADORA2AADORA2B
SCHEMBL30902868 0.88 CTSK (0.51) CTSLPSMB5CTSK
SCHEMBL7904398 0.88 CTSK (0.51) CTSLPSMB5CTSK
SCHEMBL30918346 0.88 CTSL (0.49) ADORA3ADORA2AADORA2BADORA1PSMB1
SCHEMBL20495590 0.88 MME (0.61) MMEECE1PSMB1CTSLPPARG
SCHEMBL20495591 0.88 MME (0.61) MMEECE1PSMB1CTSLPPARG
SCHEMBL2776833 0.88 PPARA (0.55) CTSLPPARGPPARACTSKACE
SCHEMBL5971174 0.88 PPARA (0.55) CTSLPPARGPPARACTSKACE

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 MME 406/4885ECE1 1325/4885ADORA3 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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