SCHEMBL29855552

SCHEMBL29855552

O=C(N[C@@H](CCc1cc(F)c(C(F)(F)F)c(F)c1)C(=O)O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 7/20 0.51
MDM4 O15151 3/20 0.50
TP53 P04637 3/20 0.50
TLR2 O60603 2/20 0.44
CASP3 P42574 2/20 0.43
SLC17A5 Q9NRA2 1/20 0.43

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
SCHEMBL24633854 1.00 MDM2 (0.51) MDM2MDM4TP53TLR2CASP3
SCHEMBL22444699 1.00 MDM2 (0.51) MDM2MDM4TP53TLR2CASP3
SCHEMBL31369983 1.00 MDM2 (0.51) MDM2MDM4TP53TLR2CASP3
SCHEMBL25658302 0.94 MDM2 (0.54) MDM2MDM4TP53TLR2CASP3
SCHEMBL31634977 0.93 MDM2 (0.48) MDM2MDM4TP53TLR2CASP3
SCHEMBL27417735 0.93 MDM2 (0.48) MDM2MDM4TP53TLR2CASP3
SCHEMBL22444786 0.91 MDM2 (0.44) MDM2MDM4TP53CASP3
SCHEMBL22444938 0.91 HDAC1 (0.48) MDM2MDM4TP53
SCHEMBL22444774 0.90 MDM2 (0.51) MDM2MDM4TP53CASP3SLC17A5
SCHEMBL24633850 0.89 MDM2 (0.52) MDM2MDM4TP53TLR2CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12410212-B2 Cyclic compound having selective KRAS inhibitory effect on HRAS and NRAS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2025-09-09 US disclosed
US-20250230193-A1 CYCLIC COMPOUND HAVING SELECTIVE KRAS INHIBITORY EFFECT ON HRAS AND NRAS CHUGAI PHARMACEUTICAL CO LTD (JP) 2025-07-17 US disclosed
US-20250051394-A1 CYCLIC COMPOUND HAVING SELECTIVE KRAS INHIBITORY EFFECT ON HRAS AND NRAS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2025-02-13 US disclosed
US-20240158446-A1 CYCLIC COMPOUND HAVING SELECTIVE INHIBITORY ACTION ON KRAS OVER HRAS AND NRAS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-05-16 US disclosed
US-20240148821-A1 PHARMACEUTICAL USE OF CYCLIC PEPTIDE COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-05-09 US disclosed
CN-117279655-A Pharmaceutical use of cyclic peptide compounds 中外制药株式会社 2023-12-22 CN disclosed
CN-117279928-A Process for the preparation of cyclic compounds comprising N-substituted amino acid residues 中外制药株式会社 2023-12-22 CN disclosed
CN-117241817-A Formulations comprising cyclic peptide compounds and methods of making the same 中外制药株式会社 2023-12-15 CN 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 (5 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-20240158446-A1 CYCLIC COMPOUND HAVING SELECTIVE INHIBITORY ACTION ON KRAS OVER HRAS AND NRAS KRAS, HRAS, NRAS MDM2 47/4885MDM4 476/4885TP53 10/4885
US-12410212-B2 Cyclic compound having selective KRAS inhibitory effect on HRAS and NRAS KRAS, HRAS, NRAS MDM2 30/4885MDM4 455/4885TP53 8/4885
US-20250051394-A1 CYCLIC COMPOUND HAVING SELECTIVE KRAS INHIBITORY EFFECT ON HRAS AND NRAS KRAS, HRAS, NRAS MDM2 30/4885MDM4 455/4885TP53 8/4885
US-20240148821-A1 PHARMACEUTICAL USE OF CYCLIC PEPTIDE COMPOUND VIP, IAPP, KRAS MDM2 1604/4885MDM4 1294/4885TP53 178/4885
US-20250230193-A1 CYCLIC COMPOUND HAVING SELECTIVE KRAS INHIBITORY EFFECT ON HRAS AND NRAS KRAS, HRAS, NRAS MDM2 30/4885MDM4 455/4885TP53 8/4885

“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.