SCHEMBL24633951

SCHEMBL24633951

CN(C(=O)OCc1ccccc1)[C@@H](CCC(F)F)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.47
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
CTSS P25774 1/20 0.47
FOLH1 Q04609 2/20 0.47
ABCB1 P08183 2/20 0.47
ITGB3 P05106 2/20 0.45
ITGA2B P08514 2/20 0.45
CHRNB2 P17787 1/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNA4 P43681 1/20 0.44
ALDH1A1 P00352 4/20 0.44
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL25177917 1.00 CTSK (0.47) CTSKCTSLCTSBCTSSFOLH1
SCHEMBL25183100 0.88 CTSK (0.51) CTSKCTSLCTSBCTSSFOLH1
SCHEMBL24447455 0.88 CTSK (0.51) CTSKCTSLCTSBCTSSFOLH1
SCHEMBL24633731 0.86 FOLH1 (0.47) CTSKCTSLCTSBCTSSFOLH1
SCHEMBL11306029 0.86 FOLH1 (0.49) CTSKCTSLCTSBCTSSFOLH1
SCHEMBL28404302 0.85 FOLH1 (0.63) CTSKCTSLCTSBCTSSFOLH1
SCHEMBL6420482 0.85 FOLH1 (0.48) CTSKCTSLCTSBCTSSFOLH1
SCHEMBL7087077 0.85 FOLH1 (0.63) CTSKCTSLCTSBCTSSFOLH1
SCHEMBL9611272 0.85 ABCB1 (0.50) CTSKCTSLCTSBCTSSFOLH1
SCHEMBL25178768 0.84 ABCB1 (0.50) CTSKCTSLCTSBCTSSFOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024101402-A1 PHARMACEUTICAL COMPOSITION CONTAINING CYCLIC COMPOUND HAVING SELECTIVE KRAS INHIBITORY EFFECT AGAINST HRAS AND NRAS 中外製薬株式会社 2024-05-16 WO disclosed
US-20230151060-A1 CYCLIC PEPTIDE COMPOUND HAVING KRAS INHIBITORY ACTION CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-05-18 US disclosed
US-20230151060-A1 CYCLIC PEPTIDE COMPOUND HAVING KRAS INHIBITORY ACTION CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-05-18 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

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

For each of this compound's patents that has machine-readable text (1 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 CTSK 1790/4885CTSL 1797/4885CTSB 2004/4885

“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.