SCHEMBL29679031

SCHEMBL29679031

CC(C)(C)c1ccc(C[C@H](NC(=O)C2CCC(CN)CC2)C(=O)NCCCC[C@H](NC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)cc1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PLG P00747 11/20 0.60
▸ PRSS1 P07477 9/20 0.60
▸ PRSS2 P07478 9/20 0.60
▸ PRSS3 P35030 9/20 0.60
▸ FOLH1 Q04609 8/20 0.59
▸ PLAU P00749 2/20 0.58

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
SCHEMBL29679159 0.92 FOLH1 (0.62) PLGPRSS1PRSS2PRSS3FOLH1
SCHEMBL29679197 0.91 PLG (0.68) PLGPRSS1PRSS2PRSS3FOLH1
SCHEMBL25963776 0.90 FOLH1 (0.60) PLGPRSS1PRSS2PRSS3FOLH1
SCHEMBL29679118 0.90 FOLH1 (0.64) PLGPRSS1PRSS2PRSS3FOLH1
SCHEMBL29679138 0.90 FOLH1 (0.60) PLGPRSS1PRSS2PRSS3FOLH1
Trifluoroacetic Acid SCHEMBL30309112 0.88 FOLH1 (0.57) PLGPRSS1PRSS2PRSS3FOLH1
SCHEMBL29679079 0.88 FOLH1 (0.58) PLGPRSS1PRSS2PRSS3FOLH1
SCHEMBL29678954 0.87 FOLH1 (0.58) PLGPRSS1PRSS2PRSS3FOLH1
SCHEMBL29679140 0.87 FOLH1 (0.60) PLGPRSS1PRSS2PRSS3FOLH1
SCHEMBL23553003 0.87 FOLH1 (0.76) PLGPRSS1PRSS2PRSS3FOLH1

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 PLG 685/4885PRSS1 118/4885PRSS2 424/4885

“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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