SCHEMBL29679162

SCHEMBL29679162

CC(C)(C)OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)[C@@H](N)CCCc1ccccc1)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 3/20 0.45
▸ MMP3 P08254 3/20 0.45
▸ MMP9 P14780 3/20 0.45
▸ FOLH1 Q04609 1/20 0.45
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ PAX8 Q06710 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ CTSK P43235 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ CPB1 P15086 1/20 0.43
▸ CPB2 Q96IY4 1/20 0.43
▸ CXCR3 P49682 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 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
SCHEMBL19065173 0.91 TDP1 (0.49) MMP1MMP3MMP9FOLH1MEN1
SCHEMBL19065174 0.91 TDP1 (0.49) MMP1MMP3MMP9FOLH1MEN1
SCHEMBL31514296 0.91 TDP1 (0.49) MMP1MMP3MMP9FOLH1MEN1
SCHEMBL29598511 0.88 FOLH1 (0.48) MMP1MMP3MMP9FOLH1MEN1
SCHEMBL29679276 0.87 FOLH1 (0.46) MMP1MMP3MMP9FOLH1MEN1
SCHEMBL29728347 0.86 FOLH1 (0.51) MMP1MMP3MMP9FOLH1MEN1
SCHEMBL19079056 0.85 TDP1 (0.44) MMP1MMP3MMP9FOLH1MEN1
SCHEMBL29679547 0.85 TDP1 (0.40) FOLH1MEN1KMT2APAX8TDP1
SCHEMBL29679271 0.85 FOLH1 (0.47) FOLH1MEN1KMT2ATDP1MAPT
SCHEMBL29679190 0.84 TDP1 (0.39) FOLH1MEN1KMT2APAX8TDP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230072421-A1 TARGETED RADIOPHARMACEUTICALS FOR THE DIAGNOSIS AND TREATMENT OF PROSTATE CANCER BAYER AS (NO) 2023-03-09 — — US disclosed
EP-4003959-A1 TARGETED RADIOPHARMACEUTICALS FOR THE DIAGNOSIS AND TREATMENT OF PROSTATE CANCER Bayer AS (NO) 2022-06-01 — — EP 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-20230072421-A1 TARGETED RADIOPHARMACEUTICALS FOR THE DIAGNOSIS AND TREATMENT OF PROSTATE CANCER KLK3, AR, SHBG MMP1 335/4885MMP3 123/4885MMP9 670/4885

“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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