SCHEMBL4584520

SCHEMBL4584520

CC(C)(C)OC(=O)NC(Cc1c(F)cccc1F)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.55
ACE P12821 1/20 0.55
CTSS P25774 7/20 0.55
CTSK P43235 5/20 0.55
PPARA Q07869 5/20 0.50
PPARG P37231 4/20 0.50
SCN9A Q15858 3/20 0.50
ITGB3 P05106 2/20 0.49
ITGA2B P08514 2/20 0.49
CYP3A4 P08684 1/20 0.49
SCN10A Q9Y5Y9 1/20 0.49
PPARD Q03181 2/20 0.48
CTSL P07711 1/20 0.48
CTSB P07858 1/20 0.48
IDO1 P14902 1/20 0.46
ITGB1 P05556 1/20 0.46
ITGAV P06756 1/20 0.46
ITGB5 P18084 1/20 0.46

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
SCHEMBL1529787 1.00 PTPN1 (0.55) PTPN1ACECTSSCTSKPPARA
SCHEMBL27203728 0.92 PTPN1 (0.52) PTPN1ACECTSSCTSKPPARA
SCHEMBL27207214 0.92 PTPN1 (0.52) PTPN1ACECTSSCTSKPPARA
SCHEMBL23722980 0.86 CTSS (0.60) PTPN1ACECTSSCTSKPPARA
SCHEMBL270319 0.85 CTSS (0.73) PTPN1ACECTSSCTSKPPARA
SCHEMBL29907906 0.85 CTSS (0.73) PTPN1ACECTSSCTSKPPARA
SCHEMBL270318 0.85 CTSS (0.73) PTPN1ACECTSSCTSKPPARA
SCHEMBL1270141 0.85 CTSS (0.73) PTPN1ACECTSSCTSKPPARA
SCHEMBL29401585 0.85 CTSS (0.73) PTPN1ACECTSSCTSKPPARA
SCHEMBL10477404 0.85 ACE (0.56) PTPN1ACECTSSCTSKPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12371454-B2 Cyclic peptide compound having Kras inhibitory action CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2025-07-29 US disclosed
US-20240400617-A1 CYCLIC PEPTIDE COMPOUND HAVING KRAS INHIBITORY ACTION CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-12-05 US disclosed
US-20230151060-A1 CYCLIC PEPTIDE COMPOUND HAVING KRAS INHIBITORY ACTION CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-05-18 US disclosed
EP-4043478-A1 CYCLIC PEPTIDE COMPOUND HAVING KRAS INHIBITING ACTION CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2022-08-17 EP disclosed
CN-114729006-A Cyclic peptide compounds having Kras inhibitory activity 中外制药株式会社 2022-07-08 CN disclosed
CN-104781256-B 3,4 pairs of substitution oxazolidinone derivatives and its purposes as the inhibitor of calcium-activated potassium channel 霍夫曼-拉罗奇有限公司 2017-09-29 CN disclosed
CN-104781256-A 3,4-disubstituted oxazolidinone derivatives and their use as inhibitors of the calcium activated potassium channel HOFFMANN LA ROCHE 2015-07-15 CN disclosed
EP-1968568-A2 INHIBITORS OF Akt ACTIVITY SmithKline Beecham Corporation (US) 2008-09-17 EP disclosed
WO-2007076423-A2 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2007-07-05 WO disclosed
US-20060122184-A1 Cyanomethyl derivatives as cysteine protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2006-06-08 US disclosed
EP-0720601-B1 GASTRIN AND CCK RECEPTOR LIGANDS BLACK JAMES FOUNDATION (GB) 2000-10-25 EP disclosed
US-5919829-A Gastrin and cck receptor ligands JAMES BLACK FOUNDATION LIMITED (GB) 1999-07-06 US disclosed
US-5795907-A Gastin and CCK receptor ligands JAMES BLACK FOUNDATION LIMITED (GB) 1998-08-18 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 (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 PTPN1 201/4885ACE 831/4885CTSS 2182/4885
US-20240400617-A1 CYCLIC PEPTIDE COMPOUND HAVING KRAS INHIBITORY ACTION KRAS, NRAS, HRAS PTPN1 201/4885ACE 831/4885CTSS 2182/4885
US-20060122184-A1 Cyanomethyl derivatives as cysteine protease inhibitors CTSF, CTSB, CTSK PTPN1 2971/4885ACE 74/4885CTSS 4/4885
US-12371454-B2 Cyclic peptide compound having Kras inhibitory action KRAS, NRAS, HRAS PTPN1 201/4885ACE 831/4885CTSS 2182/4885

“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.