SCHEMBL31479909

SCHEMBL31479909

CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CO)NC1=O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 1/20 0.45
KRAS P01116 3/20 0.44
ITGB3 P05106 3/20 0.43
ITGAV P06756 3/20 0.43
ITGB5 P18084 3/20 0.43
ITGA2B P08514 2/20 0.43
ITGB6 P18564 2/20 0.43
KLKB1 P03952 4/20 0.42
KDM1A O60341 1/20 0.42
RCOR1 Q9UKL0 1/20 0.42
WDR5 P61964 2/20 0.41
CACNA1B Q00975 1/20 0.41
KDM4A O75164 1/20 0.41
F12 P00748 1/20 0.41
ITGB1 P05556 1/20 0.41
ITGA5 P08648 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
SCHEMBL31352928 0.95 KRAS (0.48) HSP90AB1KRASKLKB1CACNA1BKDM4A
SCHEMBL31328348 0.88 TPSAB1 (0.43) KRASITGB3ITGAVITGB5ITGA2B
SCHEMBL24739372 0.87 PIN1 (0.46) HSP90AB1KRASITGB3ITGAVITGB5
SCHEMBL29666828 0.85 HDAC3 (0.42) KRASKLKB1
SCHEMBL29568658 0.83 GHSR (0.42) KRASITGB3ITGAVITGB5ITGB1
SCHEMBL29568807 0.83 GHSR (0.42) KRASITGB3ITGAVITGB5ITGB1
SCHEMBL29569694 0.83 GHSR (0.42) KRASITGB3ITGAVITGB5ITGB1
SCHEMBL12794626 0.83 KRAS (0.48) KRASKDM4A
SCHEMBL278805 0.82 ITGB3 (0.46) KRASITGB3ITGAVITGB5ITGA2B
SCHEMBL29924950 0.82 FURIN (0.43) KRAS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260028374-A1 EPIDERMAL GROWTH FACTOR RECEPTOR INHIBITORS FILAMON LTD (AU) 2026-01-29 US disclosed
WO-2025050169-A1 EPIDERMAL GROWTH FACTOR RECEPTOR INHIBITORS FILAMON PTY LTD (AU) 2025-03-13 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-20260028374-A1 EPIDERMAL GROWTH FACTOR RECEPTOR INHIBITORS EGFR, ERBB2, ERBB3 HSP90AB1 3092/4885KRAS 3413/4885ITGB3 818/4885

“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.