SCHEMBL29721233

SCHEMBL29721233

CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)O)C(C)C)[C@@H](C)O

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ APLNR P35414 1/20 0.57
▸ F2 P00734 4/20 0.55
▸ CALCR P30988 4/20 0.53
▸ KDM1A O60341 3/20 0.53
▸ MAOB P27338 1/20 0.53
▸ KDM5A P29375 1/20 0.53
▸ KDM1B Q8NB78 1/20 0.53
▸ EP300 Q09472 1/20 0.53
▸ HIF1A Q16665 1/20 0.53
▸ MC4R P32245 1/20 0.53
▸ CRHR1 P34998 1/20 0.52
▸ CRHR2 Q13324 1/20 0.52
▸ GLP1R P43220 1/20 0.52
▸ SCTR P47872 1/20 0.52
▸ KEAP1 Q14145 1/20 0.52

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
SCHEMBL30358141 0.91 APLNR (0.63) APLNRF2CALCRKDM1AMAOB
SCHEMBL31182755 0.90 CALCR (0.60) APLNRF2CALCREP300HIF1A
SCHEMBL30712933 0.90 C5AR1 (0.62) APLNRCALCRKDM1AMAOBKDM5A
SCHEMBL30495787 0.90 C5AR1 (0.66) GLP1RKEAP1
SCHEMBL29849478 0.88 MC4R (0.60) CALCRMC4RCRHR1CRHR2GLP1R
SCHEMBL30262194 0.87 APLNR (0.57) APLNRF2CALCRKDM1AKEAP1
SCHEMBL30252487 0.87 CALCR (0.60) APLNRCALCRMC4RCRHR1CRHR2
SCHEMBL30432183 0.87 F2 (0.59) APLNRF2CALCRKDM1A
SCHEMBL30974429 0.87 MC4R (0.61) F2CALCRKDM1AMC4RKEAP1
SCHEMBL29707431 0.87 MC4R (0.62) CALCRKDM1AMAOBKDM5AKDM1B

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-11352395-B2 Anticancer peptides IDP DISCOVERY PHARMA, S.L. (ES) 2022-06-07 — — 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-11352395-B2 Anticancer peptides PNISR, NGLY1, SLC1A5 APLNR 199/4885F2 4327/4885CALCR 333/4885

“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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