SCHEMBL29679161

SCHEMBL29679161

Cc1ccc(C[C@H](N)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)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 5/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ CA1 P00915 2/20 0.42
▸ CA2 P00918 2/20 0.42
▸ FNTA P49354 2/20 0.42
▸ FNTB P49356 2/20 0.42
▸ PGGT1B P53609 2/20 0.42
▸ PAX8 Q06710 2/20 0.41
▸ POLB P06746 1/20 0.40
▸ ATM Q13315 1/20 0.39
▸ GLA P06280 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ TGM2 P21980 1/20 0.38

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
SCHEMBL29679269 0.93 CA1 (0.42) TDP1KDM4EMAPTNPSR1CA1
SCHEMBL31514305 0.92 PLG (0.43) TDP1MAPTCA1CA2FNTA
SCHEMBL29679077 0.92 FNTA (0.42) TDP1CA1CA2FNTAFNTB
SCHEMBL31514296 0.92 TDP1 (0.49) TDP1MAPTNPSR1PAX8
SCHEMBL19065174 0.92 TDP1 (0.49) TDP1MAPTNPSR1PAX8
SCHEMBL19065173 0.92 TDP1 (0.49) TDP1MAPTNPSR1PAX8
SCHEMBL29679276 0.91 FOLH1 (0.46) TDP1MAPTNPSR1CA1CA2
SCHEMBL29678930 0.90 TDP1 (0.43) TDP1KDM4EMAPTNPSR1CA1
SCHEMBL24455838 0.88 FOLH1 (0.44) TGM2
SCHEMBL24455553 0.88 FOLH1 (0.44) TGM2

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 TDP1 2775/4885KDM4E 3675/4885MAPT 1869/4885

“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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