SCHEMBL30799577

SCHEMBL30799577

CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)CN)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.60
REN P00797 4/20 0.57
LTA4H P09960 1/20 0.55
MMP2 P08253 1/20 0.55
MMP7 P09237 1/20 0.55
MMP9 P14780 1/20 0.55
MMP12 P39900 1/20 0.55
MMP13 P45452 1/20 0.55
OPRM1 P35372 1/20 0.55
OPRD1 P41143 1/20 0.55
OPRK1 P41145 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
SCHEMBL8060317 0.96 MME (0.59) MMERENLTA4HMMP2MMP7
SCHEMBL8060325 0.96 MME (0.59) MMERENLTA4HMMP2MMP7
SCHEMBL29427560 0.95 MME (0.58) MMERENLTA4HMMP2MMP7
SCHEMBL9551455 0.94 MME (0.64) MMELTA4HMMP2MMP7MMP9
SCHEMBL9829182 0.94 MME (0.64) MMELTA4HMMP2MMP7MMP9
SCHEMBL5370772 0.94 MME (0.64) MMELTA4HMMP2MMP7MMP9
SCHEMBL29746506 0.92 OPRM1 (0.60) MMERENOPRM1OPRD1OPRK1
SCHEMBL21192616 0.92 ACE (0.57) MMERENMMP2MMP7MMP9
SCHEMBL21192611 0.92 ACE (0.57) MMERENMMP2MMP7MMP9
SCHEMBL29966332 0.91 REN (0.57) MMERENOPRM1OPRD1OPRK1

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 MME 467/4885REN 818/4885LTA4H 4132/4885

“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.