SCHEMBL23680476

SCHEMBL23680476

CC(C)[C@H](NC(=O)CCCOCCN1C(=O)C=CC1=O)C(=O)N[C@@H](C)C(=O)Nc1ccc(CO)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 1/20 0.38
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ CASP1 P29466 1/20 0.34
▸ MGLL Q99685 1/20 0.33
▸ HRH1 P35367 5/20 0.32
▸ HTT P42858 1/20 0.32
▸ HDAC3 O15379 1/20 0.32
▸ HDAC4 P56524 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC7 Q8WUI4 1/20 0.32
▸ HDAC2 Q92769 1/20 0.32
▸ HDAC10 Q969S8 1/20 0.32
▸ HDAC11 Q96DB2 1/20 0.32
▸ HDAC8 Q9BY41 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ HDAC9 Q9UKV0 1/20 0.32
▸ HDAC5 Q9UQL6 1/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ NPC1 O15118 1/20 0.32

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
SCHEMBL23071797 0.94 NR3C1 (0.38) NR3C1MEN1KMT2ACASP1MGLL
SCHEMBL31045397 0.94 NR3C1 (0.38) NR3C1MEN1KMT2ACASP1MGLL
SCHEMBL22702676 0.94 NR3C1 (0.38) NR3C1MEN1KMT2ACASP1MGLL
SCHEMBL23286124 0.91 NR3C1 (0.38) NR3C1MEN1KMT2ACASP1HTT
SCHEMBL20864022 0.89 KMT2A (0.38) NR3C1MEN1KMT2ACASP1HTT
SCHEMBL21073943 0.89 KMT2A (0.38) NR3C1MEN1KMT2ACASP1HTT
SCHEMBL21073942 0.89 KMT2A (0.38) NR3C1MEN1KMT2ACASP1HTT
SCHEMBL23071942 0.89 NR3C1 (0.41) NR3C1MEN1KMT2ACASP1HRH1
SCHEMBL23286127 0.86 MEN1 (0.37) NR3C1MEN1KMT2AMGLLHTT
SCHEMBL31045379 0.86 NR3C1 (0.36) NR3C1MEN1KMT2ACASP1MGLL

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-20210230218-A1 OLIGOPEPTIDE LINKER INTERMEDIATE AND PREPARATION METHOD THEREOF MABPLEX INTERNATIONAL, LTD. (CN) 2021-07-29 — — 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-20210230218-A1 OLIGOPEPTIDE LINKER INTERMEDIATE AND PREPARATION METHOD THEREOF VIP, DNPEP, PREP NR3C1 4800/4885MEN1 1182/4885KMT2A 2943/4885

“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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