SCHEMBL24734858

SCHEMBL24734858

CN(C)C(=O)[C@H](CC(=O)O)N(C)C(=O)[C@H](C1CCCC1)N(C)C(=O)C1(NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCc2cc(F)c(C(F)(F)F)c(F)c2)NC(=O)OCc2ccccc2)CCCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
REN P00797 1/20 0.35
CASP1 P29466 1/20 0.35
CASP3 P42574 1/20 0.35
CASP2 P42575 1/20 0.35
CASP4 P49662 1/20 0.35
CASP5 P51878 1/20 0.35
CASP7 P55210 1/20 0.35
CASP9 P55211 1/20 0.35
CASP8 Q14790 1/20 0.35
CASP10 Q92851 1/20 0.35
DPP4 P27487 2/20 0.34
DPP8 Q6V1X1 2/20 0.34
CMA1 P23946 5/20 0.34
XIAP P98170 1/20 0.34
CTSD P07339 4/20 0.34
CTSE P14091 4/20 0.34
BACE1 P56817 4/20 0.34
MALT1 Q9UDY8 1/20 0.34

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
SCHEMBL24733477 0.94 CMA1 (0.37) ALDH1A1CYP3A4RENDPP4DPP8
SCHEMBL31622756 0.87 XIAP (0.34) XIAPCTSDCTSEBACE1TACR1
SCHEMBL30863398 0.86 CTSD (0.36) RENCMA1CTSDCTSEBACE1
SCHEMBL30863485 0.84 CTSD (0.36) RENCMA1CTSDCTSEBACE1
SCHEMBL30863381 0.82 CMA1 (0.33) CMA1XIAPCTSDCTSEBACE1
SCHEMBL24733599 0.82 KMT2A (0.50) ALDH1A1CYP3A4KMT2A
SCHEMBL24734365 0.80 CTSD (0.34) RENCTSDCTSEBACE1
SCHEMBL30863387 0.80 CTSD (0.35) RENCTSDCTSEBACE1
SCHEMBL24821054 0.78
SCHEMBL24823158 0.77 REN (0.40) ALDH1A1CYP3A4RENCASP1CASP3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220411462-A1 METHODS FOR PRODUCING CYCLIC COMPOUNDS COMPRISING N-SUBSTITUTED AMINO ACID RESIDUES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2022-12-29 US disclosed
WO-2022234864-A1 METHOD FOR PRODUCING CYCLIC COMPOUND CONTAINING N-SUBSTITUTED AMINO ACID RESIDUE 中外製薬株式会社 2022-11-10 WO disclosed
EP-4086272-A1 METHODS FOR PRODUCING CYCLIC COMPOUNDS COMPRISING N-SUBSTITUTED AMINO ACID RESIDUES Chugai Seiyaku Kabushiki Kaisha (JP) 2022-11-09 EP disclosed
EP-4086272-A1 METHODS FOR PRODUCING CYCLIC COMPOUNDS COMPRISING N-SUBSTITUTED AMINO ACID RESIDUES Chugai Seiyaku Kabushiki Kaisha (JP) 2022-11-09 EP 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-20220411462-A1 METHODS FOR PRODUCING CYCLIC COMPOUNDS COMPRISING N-SUBSTITUTED AMINO ACID RESIDUES NGLY1, NPPA, VIP ALDH1A1 4672/4885CYP3A4 2479/4885REN 529/4885

“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.