SCHEMBL29728347

SCHEMBL29728347

CC(C)(C)OC(=O)CC[C@H](NC(=O)[C@@H](N)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 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 5/20 0.51
▸ PAX8 Q06710 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ MEN1 O00255 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ CPB1 P15086 1/20 0.44
▸ CPB2 Q96IY4 1/20 0.44
▸ EED O75530 1/20 0.44
▸ PTPN1 P18031 1/20 0.43
▸ CTSS P25774 2/20 0.43
▸ MMP1 P03956 1/20 0.43
▸ MMP3 P08254 1/20 0.43
▸ MMP9 P14780 1/20 0.43
▸ CTSL P07711 1/20 0.43
▸ CTSB P07858 1/20 0.43
▸ CTSK P43235 1/20 0.43
▸ AKT1 P31749 1/20 0.43
▸ NPY1R P25929 1/20 0.42

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
SCHEMBL29598511 0.98 FOLH1 (0.48) FOLH1PAX8TDP1MEN1ALDH1A1
SCHEMBL22590171 0.94 FOLH1 (0.56) FOLH1PAX8TDP1CPB1CPB2
SCHEMBL30031806 0.90 PAX8 (0.45) FOLH1PAX8TDP1MEN1ALDH1A1
SCHEMBL19065174 0.90 TDP1 (0.49) FOLH1PAX8TDP1MEN1ALDH1A1
SCHEMBL19065173 0.90 TDP1 (0.49) FOLH1PAX8TDP1MEN1ALDH1A1
SCHEMBL31514296 0.90 TDP1 (0.49) FOLH1PAX8TDP1MEN1ALDH1A1
SCHEMBL30971350 0.89 FOLH1 (0.51) FOLH1PTPN1CTSSCTSLCTSB
SCHEMBL29335966 0.89 FOLH1 (0.51) FOLH1PTPN1CTSSCTSLCTSB
SCHEMBL29728362 0.86 FOLH1 (0.70) FOLH1PAX8TDP1
SCHEMBL29728339 0.86 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 2/4885PAX8 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.

Send feedback