SCHEMBL25183126

SCHEMBL25183126

CN(C(=O)OC(C)(C)C)C(Cc1cccc(Br)c1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 1/20 0.49
▸ CTSS P25774 1/20 0.49
▸ CTSK P43235 1/20 0.49
▸ AAK1 Q2M2I8 1/20 0.46
▸ SLC7A5 Q01650 1/20 0.44
▸ RIPK1 Q13546 1/20 0.43
▸ MMP13 P45452 1/20 0.41
▸ PTGES O14684 1/20 0.39

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
SCHEMBL4876675 0.88 CTSB (0.47) CTSBCTSSCTSKAAK1SLC7A5
SCHEMBL14431669 0.88 CTSB (0.47) CTSBCTSSCTSKAAK1SLC7A5
SCHEMBL2476924 0.86 MMP13 (0.46) CTSBCTSSCTSKSLC7A5MMP13
SCHEMBL1401042 0.86 MMP13 (0.46) CTSBCTSSCTSKSLC7A5MMP13
SCHEMBL65502 0.86 MMP13 (0.46) CTSBCTSSCTSKSLC7A5MMP13
SCHEMBL15083607 0.85 CTSL (0.49) SLC7A5RIPK1MMP13
SCHEMBL31407294 0.85 CTSB (0.50) CTSBCTSSCTSKSLC7A5MMP13
SCHEMBL25185803 0.85 CTSS (0.49) CTSSCTSKSLC7A5RIPK1MMP13
SCHEMBL29540073 0.85 CTSL (0.49) SLC7A5RIPK1MMP13
SCHEMBL25182915 0.85 SLC7A5 (0.44) CTSBCTSSCTSKAAK1SLC7A5

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 5 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 CTSB 2004/4885CTSS 2182/4885CTSK 1790/4885
US-20240400617-A1 CYCLIC PEPTIDE COMPOUND HAVING KRAS INHIBITORY ACTION KRAS, NRAS, HRAS CTSB 2004/4885CTSS 2182/4885CTSK 1790/4885
US-12371454-B2 Cyclic peptide compound having Kras inhibitory action KRAS, NRAS, HRAS CTSB 2004/4885CTSS 2182/4885CTSK 1790/4885

“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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