SCHEMBL30799863

SCHEMBL30799863

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

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GNPAT O15228 1/20 0.58
▸ MME P08473 3/20 0.53
▸ ACE P12821 2/20 0.53
▸ CPA1 P15085 2/20 0.53
▸ ACE2 Q9BYF1 2/20 0.53
▸ OPRM1 P35372 2/20 0.52
▸ OPRD1 P41143 2/20 0.52
▸ REN P00797 1/20 0.51
▸ HDAC3 O15379 1/20 0.49
▸ HDAC4 P56524 1/20 0.49
▸ HDAC1 Q13547 1/20 0.49
▸ HDAC2 Q92769 1/20 0.49
▸ HDAC8 Q9BY41 1/20 0.49
▸ CTRB1 P17538 1/20 0.48
▸ MMP2 P08253 7/20 0.47
▸ MMP1 P03956 2/20 0.47
▸ MMP3 P08254 2/20 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
SCHEMBL31181261 0.91 GNPAT (0.58) GNPATCTRB1
SCHEMBL31181219 0.90 GNPAT (0.57) GNPAT
SCHEMBL30799883 0.89 MME (0.56) GNPATMMEACECPA1ACE2
SCHEMBL11799997 0.89 MME (0.56) GNPATMMEACECPA1ACE2
SCHEMBL30799717 0.88 GNPAT (0.55) GNPATMMEACECPA1ACE2
SCHEMBL30799731 0.88 MME (0.55) GNPATMMEACECPA1ACE2
SCHEMBL12516677 0.88 GNPAT (0.55) GNPATMMEACECPA1ACE2
SCHEMBL31181231 0.87 OPRM1 (0.56) GNPATMMEACECPA1ACE2
SCHEMBL30799650 0.87 OPRD1 (0.55) GNPATOPRM1OPRD1RENMMP2
SCHEMBL30799679 0.87 CTRB1 (0.56) MMEACECTRB1

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-20240116985-A1 STAPLED PEPTIDES AND METHODS THEREOF PARABILIS MEDICINES, INC. 2024-04-11 — — 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-20240116985-A1 STAPLED PEPTIDES AND METHODS THEREOF CTNNB1, APC, CTNNA1 GNPAT 3689/4885MME 467/4885ACE 736/4885

“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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