SCHEMBL17182770

SCHEMBL17182770

C[C@@H](NC(=O)C(CN1CCN(CC(=O)OC(C)(C)C)CCN(CC(=O)OC(C)(C)C)CCN(CC(=O)OC(C)(C)C)CC1)NC(=O)C(Cc1cc(I)c(O)c(I)c1)NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 8/20 0.42
▸ BACE1 P56817 1/20 0.41
▸ MDM4 O15151 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ GRB2 P62993 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
SCHEMBL17182790 0.92 MDM4 (0.40) PTPN1BACE1MDM4TP53
SCHEMBL17182771 0.91 PTPN1 (0.42) PTPN1BACE1MDM4TP53GRB2
SCHEMBL15690950 0.90 BACE1 (0.48) BACE1MDM4TP53
SCHEMBL17182788 0.80 MDM4 (0.54) BACE1MDM4TP53
SCHEMBL17182784 0.80 MDM4 (0.54) BACE1MDM4TP53
SCHEMBL7902079 0.79 PTPN1 (0.51) PTPN1MDM4TP53GRB2
SCHEMBL17182792 0.78 BACE1 (0.44) BACE1MDM4TP53
SCHEMBL7261546 0.78 PTPN1 (0.49) PTPN1MDM4TP53GRB2
SCHEMBL29401272 0.74 MDM4 (0.52) PTPN1MDM4TP53
SCHEMBL120691 0.74 MDM4 (0.52) PTPN1MDM4TP53

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 PTPN1 3585/4885BACE1 4752/4885MDM4 1751/4885

“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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