SCHEMBL29679328

SCHEMBL29679328

CC(C)(C)OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)[C@@H](Cc1ccc2cnccc2c1)NC(=O)OCc1ccccc1)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 2/20 0.48
▸ CTSS P25774 2/20 0.48
▸ CTSL P07711 1/20 0.48
▸ CTSK P43235 1/20 0.45
▸ FOLH1 Q04609 4/20 0.44
▸ CPB1 P15086 1/20 0.43
▸ CPB2 Q96IY4 1/20 0.43
▸ TGM2 P21980 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ PAX8 Q06710 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ SIRT2 Q8IXJ6 2/20 0.42
▸ SIRT1 Q96EB6 2/20 0.42
▸ SIRT3 Q9NTG7 2/20 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
SCHEMBL29678946 0.97 CTSB (0.48) CTSBCTSSCTSLCTSKFOLH1
SCHEMBL29335184 0.92 CTSB (0.57) CTSBCTSSCTSLCTSKFOLH1
SCHEMBL29678886 0.88 HDAC1 (0.50) CTSBCTSSCTSLCTSKFOLH1
SCHEMBL29678808 0.88 CTSB (0.46) CTSBCTSSCTSLCTSKFOLH1
SCHEMBL23849707 0.88 FOLH1 (0.55) CTSBCTSSCTSLCTSKFOLH1
SCHEMBL19065207 0.88 FOLH1 (0.55) CTSBCTSSCTSLCTSKFOLH1
SCHEMBL29679288 0.87 FOLH1 (0.46) CTSBCTSSCTSLFOLH1CPB1
SCHEMBL29678907 0.86 FOLH1 (0.50) CTSBCTSSCTSLCTSKFOLH1
SCHEMBL29678925 0.86 FOLH1 (0.46) CTSBCTSSCTSLFOLH1CPB1
SCHEMBL29678911 0.86 FOLH1 (0.39) CTSBCTSSCTSKFOLH1MAPT

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 CTSB 1487/4885CTSS 812/4885CTSL 1672/4885

“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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