SCHEMBL22454845

SCHEMBL22454845

CC(C)(C)OC(=O)N[C@@H](CCc1ccc(C(F)(F)F)c(Cl)c1)C(=O)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.48
CTSK P43235 2/20 0.48
PPARA Q07869 5/20 0.47
CACNA1B Q00975 2/20 0.45
PPARG P37231 4/20 0.45
SYK P43405 1/20 0.42
ACE P12821 1/20 0.42
MMP7 P09237 1/20 0.41
TACR1 P25103 1/20 0.41
PTPN1 P18031 1/20 0.41
PPARD Q03181 2/20 0.41
KLK7 P49862 1/20 0.41

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
SCHEMBL29633919 1.00 CTSS (0.48) CTSSCTSKPPARACACNA1BPPARG
SCHEMBL28741555 1.00 CTSS (0.48) CTSSCTSKPPARACACNA1BPPARG
SCHEMBL25658299 0.94 PPARA (0.46) CTSSCTSKPPARACACNA1BPPARG
SCHEMBL28741519 0.93 SYK (0.45) CTSSCTSKPPARAPPARGSYK
SCHEMBL22444602 0.91 PPARA (0.45) CTSSCTSKPPARAPPARGMMP7
SCHEMBL28741517 0.90 CTSL (0.48) CTSSCTSKPPARACACNA1BPPARG
SCHEMBL28741584 0.89 CTSS (0.44) CTSSCTSKPPARACACNA1BPPARG
SCHEMBL31185265 0.88 CTSS (0.48) CTSSCTSKPPARACACNA1BPPARG
SCHEMBL22444672 0.87 PPARA (0.50) CTSSCTSKPPARAPPARGACE
SCHEMBL22444701 0.85 PPARA (0.50) PPARAPPARGMMP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239842-A1 BINDING MOLECULE EXHIBITING SELECTIVE BINDING FOR RAS(G12D) MUTANT CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-07-18 US disclosed
WO-2023214576-A1 CYCLIC COMPOUND HAVING SELECTIVE KRAS INHIBITORY EFFECT ON HRAS AND NRAS 中外製薬株式会社 2023-11-09 WO disclosed
US-20230151060-A1 CYCLIC PEPTIDE COMPOUND HAVING KRAS INHIBITORY ACTION CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-05-18 US disclosed
US-20230026641-A1 METHOD FOR PRODUCING PEPTIDE COMPOUND COMPRISING HIGHLY STERICALLY HINDERED AMINO ACID CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-01-26 US disclosed
WO-2022234853-A1 CYCLIC COMPOUND HAVING INHIBITORY EFFECT SELECTIVE FOR KRAS BUT NOT FOR HRAS AND NRAS 中外製薬株式会社 2022-11-10 WO disclosed
US-20220144762-A1 METHOD FOR PREPARING AROMATIC AMINO ACID DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2022-05-12 US disclosed
EP-3939962-A1 METHOD FOR PREPARING AROMATIC AMINO ACID DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2022-01-19 EP disclosed
WO-2020189540-A1 METHOD FOR PREPARING AROMATIC AMINO ACID DERIVATIVE 中外製薬株式会社 2020-09-24 WO 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 (4 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-20230151060-A1 CYCLIC PEPTIDE COMPOUND HAVING KRAS INHIBITORY ACTION KRAS, NRAS, HRAS CTSS 2182/4885CTSK 1790/4885PPARA 3880/4885
US-20240239842-A1 BINDING MOLECULE EXHIBITING SELECTIVE BINDING FOR RAS(G12D) MUTANT KRAS, G3BP1, G3BP2 CTSS 3844/4885CTSK 3696/4885PPARA 2535/4885
US-20230026641-A1 METHOD FOR PRODUCING PEPTIDE COMPOUND COMPRISING HIGHLY STERICALLY HINDERED AMINO ACID DNPEP, VIP, NPEPPS CTSS 1507/4885CTSK 1272/4885PPARA 2297/4885
US-20220144762-A1 METHOD FOR PREPARING AROMATIC AMINO ACID DERIVATIVE DDC, AADAT, TYR CTSS 2639/4885CTSK 2295/4885PPARA 658/4885

“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.