SCHEMBL29728331

SCHEMBL29728331

CCCC[Sn](CCCC)(CCCC)c1ccc(C(=O)N[C@@H](CCC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc2ccc(OCC(=O)N[C@@H](Cc3ccccc3)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)cc2)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 10/20 0.59
▸ PTPN1 P18031 5/20 0.43
▸ PAX8 Q06710 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ KLKB1 P03952 1/20 0.41
▸ PLG P00747 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
SCHEMBL29728329 1.00 FOLH1 (0.59) FOLH1PTPN1PAX8TDP1MEN1
SCHEMBL29728340 0.93 FOLH1 (0.54) FOLH1PTPN1PAX8TDP1MEN1
SCHEMBL29728328 0.93 FOLH1 (0.54) FOLH1PTPN1PAX8TDP1MEN1
SCHEMBL29728337 0.90 FOLH1 (0.74) FOLH1PTPN1PAX8TDP1MEN1
SCHEMBL22590175 0.89 FOLH1 (0.61) FOLH1
SCHEMBL19065311 0.88 FOLH1 (0.55) FOLH1PTPN1PAX8TDP1MEN1
SCHEMBL28902003 0.85 FOLH1 (0.57) FOLH1PTPN1PAX8TDP1MEN1
SCHEMBL28902005 0.85 FOLH1 (0.57) FOLH1PTPN1PAX8TDP1MEN1
SCHEMBL19065187 0.84 FOLH1 (0.56) FOLH1PTPN1PAX8TDP1MEN1
SCHEMBL29728362 0.81 FOLH1 (0.70) 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 2/4885PTPN1 3811/4885PAX8 2716/4885

“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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