SCHEMBL30892640

SCHEMBL30892640

CCCC[Sn](CCCC)(CCCC)c1ccc(CCNC(=O)CC[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)cc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 3/20 0.41
▸ BCHE P06276 1/20 0.39
▸ ACHE P22303 1/20 0.39
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.37
▸ P2RY12 Q9H244 5/20 0.37
▸ STS P08842 2/20 0.36
▸ HPGD P15428 1/20 0.36
▸ CNR1 P21554 2/20 0.36

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
SCHEMBL22228923 0.91 FOLH1 (0.42) CTSKBCHEACHE
SCHEMBL30627708 0.84 FOLH1 (0.43) CTSKCA1CA2P2RY12
SCHEMBL30892645 0.83 ALB (0.43) CTSKBCHEACHECA1CA2
SCHEMBL31317985 0.80 POLB (0.40) CA1CA2P2RY12HPGD
SCHEMBL31318002 0.80 ALB (0.41) CA1CA2P2RY12
SCHEMBL31317984 0.80 ALB (0.45) CA1CA2P2RY12
SCHEMBL31317971 0.79 ALB (0.43) CA1CA2P2RY12
SCHEMBL28873551 0.79 HPGD (0.50) CA1CA2STSHPGDCNR1
SCHEMBL28299017 0.78 HPGD (0.49) CA1CA2HSD17B10STSHPGD
SCHEMBL30627711 0.76 FOLH1 (0.39) ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240140971-A1 PSMA TARGETED RADIOHALOGENATED UREAS FOR CANCER RADIOTHERAPY THE JOHNS HOPKINS UNIVERSTY 2024-05-02 — — US 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-20240140971-A1 PSMA TARGETED RADIOHALOGENATED UREAS FOR CANCER RADIOTHERAPY PSMA3, PSMA6, PSMA7 CTSK 571/4885BCHE 689/4885ACHE 766/4885

“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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