SCHEMBL17182790

SCHEMBL17182790

CC(C)(C)OC(=O)CN1CCN(CC(=O)OC(C)(C)C)CCN(CC(NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)N[C@@H](Cc2cc(I)c(O)c(I)c2)C(=O)OC(C)(C)C)CCN(CC(=O)OC(C)(C)C)CC1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MDM4 O15151 2/20 0.40
▸ TP53 P04637 2/20 0.40
▸ PTPN1 P18031 6/20 0.40
▸ BACE1 P56817 1/20 0.40
▸ MDM2 Q00987 1/20 0.37

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
SCHEMBL17182771 0.92 PTPN1 (0.42) MDM4TP53PTPN1BACE1
SCHEMBL17182770 0.92 PTPN1 (0.42) MDM4TP53PTPN1BACE1
SCHEMBL7261546 0.86 PTPN1 (0.49) MDM4TP53PTPN1MDM2
SCHEMBL17182784 0.82 MDM4 (0.54) MDM4TP53BACE1MDM2
SCHEMBL17182788 0.82 MDM4 (0.54) MDM4TP53BACE1MDM2
SCHEMBL15690950 0.82 BACE1 (0.48) MDM4TP53BACE1MDM2
SCHEMBL17182792 0.81 BACE1 (0.44) MDM4TP53BACE1MDM2
SCHEMBL7902079 0.80 PTPN1 (0.51) MDM4TP53PTPN1MDM2
SCHEMBL5887493 0.76 MDM2 (0.47) MDM4TP53PTPN1MDM2
SCHEMBL5887494 0.76 MDM2 (0.47) MDM4TP53PTPN1MDM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150297761-A1 PEPTIDIC STRUCTURES INCORPORATING AN AMINO ACID METAL COMPLEX AND APPLICATIONS IN MAGNETIC RESONANCE IMAGING NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2015-10-22 — — US 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-20150297761-A1 PEPTIDIC STRUCTURES INCORPORATING AN AMINO ACID METAL COMPLEX AND APPLICATIONS IN MAGNETIC RESONANCE IMAGING ARGLU1, CA1, SSTR3 MDM4 1751/4885TP53 4159/4885PTPN1 3585/4885

“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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