SCHEMBL29679288

SCHEMBL29679288

CC(C)(C)OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)[C@H](Cc1cc2ccccc2cn1)NC(=O)OCc1ccccc1)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 1/20 0.46
▸ CPB1 P15086 1/20 0.44
▸ CPB2 Q96IY4 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ KLK7 P49862 1/20 0.44
▸ KLK5 Q9Y337 1/20 0.44
▸ PAX8 Q06710 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ SIRT2 Q8IXJ6 4/20 0.43
▸ SIRT1 Q96EB6 2/20 0.43
▸ SIRT3 Q9NTG7 2/20 0.43
▸ CTSL P07711 1/20 0.43
▸ CTSB P07858 1/20 0.43
▸ CTSS P25774 1/20 0.43

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
SCHEMBL29679148 0.89 FOLH1 (0.48) FOLH1MAPTKLK7KLK5
SCHEMBL29335184 0.88 CTSB (0.57) FOLH1CPB1CPB2SIRT2SIRT1
SCHEMBL29678925 0.88 FOLH1 (0.46) FOLH1CPB1CPB2MAPTKLK7
SCHEMBL23849707 0.88 FOLH1 (0.55) FOLH1CPB1CPB2MAPTKLK7
SCHEMBL19065207 0.88 FOLH1 (0.55) FOLH1CPB1CPB2MAPTKLK7
SCHEMBL29679328 0.87 CTSB (0.48) FOLH1CPB1CPB2MAPTPAX8
SCHEMBL29679183 0.86 TDP1 (0.40) FOLH1MAPTPAX8TDP1
SCHEMBL29678886 0.85 HDAC1 (0.50) FOLH1CPB1CPB2MAPTKLK7
SCHEMBL29678808 0.85 CTSB (0.46) FOLH1CPB1CPB2MAPTKLK7
SCHEMBL29678907 0.85 FOLH1 (0.50) FOLH1CPB1CPB2PAX8TDP1

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 FOLH1 43/4885CPB1 2570/4885CPB2 2343/4885

“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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