SCHEMBL29679505

SCHEMBL29679505

CC(C)(C)OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)Cc1ccc(N)cc1)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 12/20 0.51
▸ CTSB P07858 1/20 0.47
▸ CTSS P25774 1/20 0.47
▸ CTSK P43235 1/20 0.47
▸ CHRNA1 P02708 4/20 0.42
▸ CHRNG P07510 4/20 0.42
▸ CHRNB1 P11230 4/20 0.42
▸ CHRND Q07001 4/20 0.42
▸ GRIA1 P42261 1/20 0.41
▸ CHRM2 P08172 1/20 0.40
▸ CHRM1 P11229 1/20 0.40
▸ CHRM3 P20309 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
SCHEMBL30971350 0.89 FOLH1 (0.51) FOLH1CTSBCTSSCTSK
SCHEMBL29335966 0.89 FOLH1 (0.51) FOLH1CTSBCTSSCTSK
SCHEMBL29678991 0.87 FOLH1 (0.48) FOLH1CTSBCTSSCTSK
SCHEMBL26222813 0.87 FOLH1 (0.48) FOLH1CTSBCTSSCTSK
SCHEMBL29678852 0.87 FOLH1 (0.48) FOLH1CTSBCTSSCTSK
SCHEMBL29008427 0.87 FOLH1 (0.48) FOLH1CTSBCTSSCTSK
SCHEMBL29678910 0.87 FOLH1 (0.48) FOLH1CTSBCTSSCTSK
SCHEMBL29678941 0.87 FOLH1 (0.53) FOLH1CTSBCTSSCTSK
SCHEMBL29335184 0.86 CTSB (0.57) FOLH1CTSBCTSSCTSK
SCHEMBL29679033 0.86 FOLH1 (0.59) FOLH1CTSBCTSSCTSKCHRM2

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 43/4885CTSB 1487/4885CTSS 812/4885

“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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