SCHEMBL18083185

SCHEMBL18083185

COC(=O)[C@H](CCCCNC(=O)NCCCC1(C)N=N1)NC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 8/20 0.42
▸ ATM Q13315 2/20 0.42
▸ NPSR1 Q6W5P4 6/20 0.41
▸ MEN1 O00255 5/20 0.41
▸ KMT2A Q03164 5/20 0.41
▸ POLB P06746 3/20 0.41
▸ GAA P10253 1/20 0.40
▸ MAPT P10636 5/20 0.39
▸ CTSK P43235 2/20 0.39
▸ CTSS P25774 1/20 0.39
▸ KLK7 P49862 1/20 0.38
▸ KLK5 Q9Y337 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ PAX8 Q06710 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ CAPN1 P07384 1/20 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
SCHEMBL18137793 0.87 TDP1 (0.42) TDP1ATMNPSR1MEN1KMT2A
SCHEMBL5024804 0.82 MEN1 (0.55) TDP1ATMNPSR1MEN1KMT2A
SCHEMBL14820488 0.81 TDP1 (0.50) TDP1ATMNPSR1MEN1KMT2A
SCHEMBL14682808 0.80 TDP1 (0.48) TDP1ATMNPSR1MEN1KMT2A
SCHEMBL25550092 0.80 TDP1 (0.47) TDP1ATMNPSR1MEN1KMT2A
SCHEMBL30186579 0.78 MEN1 (0.60) TDP1ATMNPSR1MEN1KMT2A
SCHEMBL26100889 0.78 CAPN1 (0.46) MEN1KMT2AGAACTSKCTSS
SCHEMBL26100893 0.78 CAPN1 (0.46) MEN1KMT2AGAACTSKCTSS
SCHEMBL16504665 0.77 CTSS (0.53) TDP1ATMNPSR1MEN1KMT2A
SCHEMBL19975659 0.77 TDP1 (0.50) TDP1ATMNPSR1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3070095-B1 ADENO-ASSOCIATED VIRUS WITH SITE-DIRECTED MUTAGENESIS AND SITE-DIRECTED MODIFICATION, AND PREPARATION METHOD AND APPLICATION THEREFOR UNIV BEIJING (CN) 2021-04-28 — — EP disclosed
US-20160297855-A1 Adeno-Associated Virus with Site-Directed Mutagenesis and Site-Directed Modification and Preparation Method and Application Thereof PEKING UNIVERSITY (CN) 2016-10-13 — — US disclosed
EP-3070095-A1 ADENO-ASSOCIATED VIRUS WITH SITE-DIRECTED MUTAGENESIS AND SITE-DIRECTED MODIFICATION, AND PREPARATION METHOD AND APPLICATION THEREFOR Peking University (CN) 2016-09-21 — — 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-20160297855-A1 Adeno-Associated Virus with Site-Directed Mutagenesis and Site-Directed Modification and Preparation Method and Application Thereof PHAX, VPS26B, ADAR TDP1 2675/4885ATM 779/4885NPSR1 4186/4885

“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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