SCHEMBL18975494

SCHEMBL18975494

CC(NC(=O)OC(C)(C)C)C(=O)Nc1ccc(CO)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.52
▸ MEN1 O00255 3/20 0.52
▸ JAK2 O60674 3/20 0.48
▸ CYP17A1 P05093 1/20 0.45
▸ HDAC8 Q9BY41 1/20 0.45
▸ GLS O94925 1/20 0.45
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ ATM Q13315 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ XBP1 P17861 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ GPR55 Q9Y2T6 1/20 0.42
▸ CTSS P25774 2/20 0.41
▸ CTSK P43235 2/20 0.41
▸ CA2 P00918 1/20 0.41
▸ PTPRB P23467 1/20 0.41
▸ SUV39H2 Q9H5I1 1/20 0.41

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
SCHEMBL23964045 1.00 KMT2A (0.52) KMT2AMEN1JAK2CYP17A1HDAC8
SCHEMBL23988718 0.97 KMT2A (0.50) KMT2AMEN1JAK2CYP17A1HDAC8
SCHEMBL23988713 0.97 KMT2A (0.50) KMT2AMEN1JAK2CYP17A1HDAC8
SCHEMBL25993767 0.90 MEN1 (0.56) KMT2AMEN1CTSSCTSKCA2
SCHEMBL22815478 0.90 MEN1 (0.56) KMT2AMEN1CTSSCTSKCA2
SCHEMBL19277932 0.90 MEN1 (0.56) KMT2AMEN1CTSSCTSKCA2
SCHEMBL19391315 0.90 MEN1 (0.56) KMT2AMEN1CTSSCTSKCA2
SCHEMBL19391314 0.90 MEN1 (0.56) KMT2AMEN1CTSSCTSKCA2
SCHEMBL27103092 0.89 KMT2A (0.62) KMT2AMEN1JAK2CYP17A1HDAC8
SCHEMBL25932908 0.88 KMT2A (0.51) KMT2AMEN1JAK2CYP17A1HDAC8

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
CN-118215676-A Specific conjugation of antibody drug conjugates 杭州多禧生物科技有限公司 2024-06-18 — — CN disclosed
US-10640507-B2 PBD antibacterial agents KING'S COLLEGE LONDON (GB) 2020-05-05 — — US disclosed
WO-2017098257-A1 PBD ANTIBACTERIAL AGENTS KING'S COLLEGE LONDON (GB) 2017-06-15 — — WO 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-10640507-B2 PBD antibacterial agents OPRD1, XDH, SBDS KMT2A 3038/4885MEN1 3217/4885JAK2 2002/4885

“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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