SCHEMBL29855090

SCHEMBL29855090

CN[C@@H](Cc1ccccc1OC(F)(F)F)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 2/20 0.50
▸ CYP2D6 P10635 1/20 0.43
▸ SLC6A2 P23975 1/20 0.43
▸ SLC6A4 P31645 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ NTRK1 P04629 2/20 0.43
▸ EPHX2 P34913 1/20 0.43
▸ VNN1 O95497 1/20 0.43
▸ MME P08473 2/20 0.43
▸ ACE P12821 2/20 0.43
▸ CPA1 P15085 2/20 0.43
▸ ACE2 Q9BYF1 2/20 0.43
▸ HDAC3 O15379 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC2 Q92769 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ FPR2 P25090 1/20 0.43
▸ SCN9A Q15858 6/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ GAA P10253 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
SCHEMBL16203411 0.82 ALDH1A1 (0.56) MMEACECPA1ACE2ALDH1A1
SCHEMBL22444688 0.82 ALDH1A1 (0.56) MMEACECPA1ACE2ALDH1A1
SCHEMBL29855236 0.82 ALDH1A1 (0.56) MMEACECPA1ACE2ALDH1A1
SCHEMBL1270449 0.82 SCN9A (0.54) ACESCN9ACACNA1C
SCHEMBL1270451 0.82 SCN9A (0.54) ACESCN9ACACNA1C
SCHEMBL16815369 0.81 PPARG (0.49) PPARGCYP2D6SLC6A2SLC6A4KCNH2
SCHEMBL10255020 0.78 NOS3 (0.49) PPARGCYP2D6SLC6A2SLC6A4KCNH2
SCHEMBL29854961 0.78 NOS3 (0.49) PPARGCYP2D6SLC6A2SLC6A4KCNH2
SCHEMBL29855127 0.78 PPARG (0.50) PPARGEPHX2ALDH1A1GAA
SCHEMBL692547 0.76 CTSS (0.47) PPARGALDH1A1

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 7 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-20240148821-A1 PHARMACEUTICAL USE OF CYCLIC PEPTIDE COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-05-09 — — US disclosed
EP-4316503-A1 PHARMACEUTICAL USE OF CYCLIC PEPTIDE COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-02-07 — — EP disclosed
US-20230151060-A1 CYCLIC PEPTIDE COMPOUND HAVING KRAS INHIBITORY ACTION CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-05-18 — — US disclosed
WO-2022234852-A1 PHARMACEUTICAL USE OF CYCLIC PEPTIDE COMPOUND 中外製薬株式会社 2022-11-10 — — WO disclosed
EP-4043478-A1 CYCLIC PEPTIDE COMPOUND HAVING KRAS INHIBITING ACTION CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2022-08-17 — — 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 (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 PPARG 4292/4885CYP2D6 4576/4885SLC6A2 4519/4885
US-20240400617-A1 CYCLIC PEPTIDE COMPOUND HAVING KRAS INHIBITORY ACTION KRAS, NRAS, HRAS PPARG 4292/4885CYP2D6 4576/4885SLC6A2 4519/4885
US-20240148821-A1 PHARMACEUTICAL USE OF CYCLIC PEPTIDE COMPOUND VIP, IAPP, KRAS PPARG 3626/4885CYP2D6 2906/4885SLC6A2 4060/4885
US-12371454-B2 Cyclic peptide compound having Kras inhibitory action KRAS, NRAS, HRAS PPARG 4292/4885CYP2D6 4576/4885SLC6A2 4519/4885

“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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