SCHEMBL29728362

SCHEMBL29728362

CC(C)(C)OC(=O)CC[C@H](NC(=O)c1ccc(I)cc1)C(=O)N[C@@H](CCC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCC[C@H](NC(=O)N[C@@H](CCC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.70

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 17/20 0.70
▸ PAX8 Q06710 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL29728339 1.00 FOLH1 (0.70) FOLH1PAX8TDP1L3MBTL1
SCHEMBL22590163 0.96 FOLH1 (0.79) FOLH1
SCHEMBL22590172 0.96 FOLH1 (0.79) FOLH1
SCHEMBL29728337 0.92 FOLH1 (0.74) FOLH1PAX8TDP1
SCHEMBL29728340 0.88 FOLH1 (0.54) FOLH1PAX8TDP1L3MBTL1
SCHEMBL29728328 0.88 FOLH1 (0.54) FOLH1PAX8TDP1L3MBTL1
SCHEMBL29728347 0.86 FOLH1 (0.51) FOLH1PAX8TDP1
SCHEMBL29598511 0.85 FOLH1 (0.48) FOLH1PAX8TDP1
SCHEMBL22590175 0.84 FOLH1 (0.61) FOLH1
SCHEMBL23849707 0.83 FOLH1 (0.55) FOLH1PAX8TDP1

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-20220125959-A1 PROSTATE-SPECIFIC MEMBRANE ANTIGEN (PSMA) INHIBITORS AS DIAGNOSTIC AND RADIONUCLIDE THERAPEUTIC AGENTS FIVE ELEVEN PHARMA INC (US) 2022-04-28 — — 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-20220125959-A1 PROSTATE-SPECIFIC MEMBRANE ANTIGEN (PSMA) INHIBITORS AS DIAGNOSTIC AND RADIONUCLIDE THERAPEUTIC AGENTS KLK3, FOLH1, PSMA1 FOLH1 2/4885PAX8 2716/4885TDP1 3910/4885

“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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