SCHEMBL24486431

SCHEMBL24486431

Cc1cc(CNC(=N)N)cc(I)c1OCCC(C)(C)OCC(C)(C)n1nncc1COc1c(I)cc(Oc2c(C)cc(CC(=O)O)cc2I)cc1I

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 6/20 0.44
▸ ITGAV P06756 6/20 0.44
▸ THRA P10827 3/20 0.33
▸ THRB P10828 3/20 0.33
▸ PPARG P37231 2/20 0.33
▸ RXRA P19793 1/20 0.33

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
SCHEMBL23868241 0.69 ITGB3 (0.54) ITGB3ITGAVTHRATHRBPPARG
SCHEMBL21100942 0.68 ITGB3 (0.70) ITGB3ITGAV
SCHEMBL23153242 0.65 ITGB3 (0.43) ITGB3ITGAVTHRATHRBPPARG
SCHEMBL21479481 0.65 ITGB3 (0.70) ITGB3ITGAVTHRATHRBPPARG
SCHEMBL25955792 0.63 THRB (0.44) ITGB3ITGAVTHRATHRBPPARG
SCHEMBL23153245 0.63 ITGB3 (0.42) ITGB3ITGAVTHRATHRBPPARG
SCHEMBL19696737 0.62 THRB (0.52) ITGB3ITGAVTHRATHRBPPARG
SCHEMBL23153285 0.62 ITGB3 (0.39) ITGB3ITGAVTHRATHRBPPARG
SCHEMBL25819428 0.62 THRA (0.42) ITGB3ITGAVTHRATHRBPPARG
SCHEMBL23153267 0.62 ITGB3 (0.42) ITGB3ITGAVTHRATHRBPPARG

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-11351137-B2 Composition and method for dual targeting in treatment of neuroendocrine tumors NANOPHARMACEUTICALS LLC (US) 2022-06-07 — — 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-11351137-B2 Composition and method for dual targeting in treatment of neuroendocrine tumors THRB, TSHR, SLC6A2 ITGB3 12/4885ITGAV 14/4885THRA 4/4885

“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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