SCHEMBL29679008

SCHEMBL29679008

COc1cc(C[C@@H](NC(=O)C2CCC(CNC(=O)OCc3ccccc3)CC2)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)cc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 6/20 0.48
▸ ATM Q13315 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ ABCB1 P08183 1/20 0.41
▸ PLG P00747 3/20 0.40
▸ PRSS1 P07477 3/20 0.40
▸ PRSS2 P07478 3/20 0.40
▸ PRSS3 P35030 3/20 0.40
▸ ITGB3 P05106 1/20 0.40
▸ ITGA2B P08514 1/20 0.40

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
SCHEMBL29678725 0.90 FOLH1 (0.46) FOLH1ATMKMT2AMEN1ABCB1
SCHEMBL29679326 0.90 FOLH1 (0.49) FOLH1ATMKMT2AMEN1ABCB1
SCHEMBL29679454 0.89 FOLH1 (0.45) FOLH1ATMKMT2APLGPRSS1
SCHEMBL29679205 0.89 FOLH1 (0.45) FOLH1ATMKMT2APLGPRSS1
SCHEMBL29679264 0.89 FOLH1 (0.45) FOLH1
SCHEMBL29679332 0.87 FOLH1 (0.50) FOLH1ATMKMT2AMEN1PLG
SCHEMBL29679150 0.87 FOLH1 (0.50) FOLH1ATMKMT2AMEN1PLG
SCHEMBL29679148 0.86 FOLH1 (0.48) FOLH1ATMKMT2AMEN1ABCB1
SCHEMBL29679232 0.83 FOLH1 (0.45) FOLH1ATMKMT2AMEN1PLG
SCHEMBL29679398 0.82 FOLH1 (0.60) FOLH1ATMKMT2AMEN1PLG

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 43/4885ATM 2227/4885KMT2A 2321/4885

“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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