SCHEMBL23193189

SCHEMBL23193189

CC[C@@]1(OC(=O)OCc2ccc(NC(=O)[C@H](CCCCN)NC(=O)COCC(=O)NCCOC(C)Cn3cc(CNC(=O)c4coc(-c5cnc(S(C)(=O)=O)nc5)n4)nn3)cc2)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2CCN(C(C)C)S(C)(=O)=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 1/20 0.34
▸ HDAC6 Q9UBN7 13/20 0.32
▸ HDAC8 Q9BY41 5/20 0.32
▸ HDAC3 O15379 12/20 0.32
▸ HDAC1 Q13547 12/20 0.32
▸ HDAC4 P56524 4/20 0.32
▸ HDAC7 Q8WUI4 4/20 0.32
▸ HDAC2 Q92769 4/20 0.32
▸ HDAC10 Q969S8 4/20 0.32
▸ HDAC11 Q96DB2 4/20 0.32
▸ HDAC9 Q9UKV0 4/20 0.32
▸ HDAC5 Q9UQL6 4/20 0.32
▸ TOP1 P11387 1/20 0.31
▸ ERBB2 P04626 1/20 0.31
▸ ITGB3 P05106 1/20 0.31
▸ ITGAV P06756 1/20 0.31
▸ ITGB5 P18084 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ GLA P06280 1/20 0.31
▸ GAA P10253 1/20 0.31

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
SCHEMBL29293404 0.97 ELANE (0.34) ELANEHDAC6HDAC8HDAC3HDAC1
SCHEMBL23193057 0.91 ELANE (0.35) ELANEHDAC6HDAC8HDAC3HDAC1
SCHEMBL21138197 0.90 ELANE (0.37) ELANEHDAC6HDAC8HDAC3HDAC1
SCHEMBL26784120 0.89 ELANE (0.36) ELANEHDAC6HDAC3HDAC1TOP1
SCHEMBL31682827 0.86 ELANE (0.36) ELANEHDAC6HDAC8HDAC3HDAC1
SCHEMBL21137534 0.86 HDAC6 (0.33) ELANEHDAC6HDAC8HDAC3HDAC1
SCHEMBL22618829 0.86 ELANE (0.35) ELANEHDAC6HDAC8HDAC3HDAC1
SCHEMBL22618756 0.84 ELANE (0.39) ELANEHDAC6HDAC3HDAC1HDAC2
SCHEMBL21137619 0.84 ELANE (0.39) ELANEHDAC6HDAC3HDAC1HDAC2
SCHEMBL29293467 0.84 ELANE (0.36) ELANEHDAC6HDAC3HDAC1TOP1

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-20210101906-A2 BIOACTIVE CONJUGATE, PREPARATION METHOD THEREFOR AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2021-04-08 — — 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-20210101906-A2 BIOACTIVE CONJUGATE, PREPARATION METHOD THEREFOR AND USE THEREOF DOCK11, PAICS, RHOA ELANE 3216/4885HDAC6 384/4885HDAC8 282/4885

“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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