SCHEMBL22618829

SCHEMBL22618829

CC[C@@]1(OC(=O)OCc2ccc(NC(=O)[C@H](CCCCN)NC(=O)COCC(=O)NCCCOCCn3cc(CNC(=O)CCC/C=C\c4cnc(S(C)(=O)=O)nc4)nn3)cc2)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2CCN(C(C)C)S(C)(=O)=O

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 1/20 0.35
▸ HDAC6 Q9UBN7 15/20 0.35
▸ HDAC8 Q9BY41 8/20 0.35
▸ ITGB3 P05106 3/20 0.35
▸ ITGAV P06756 3/20 0.35
▸ ITGB5 P18084 3/20 0.35
▸ HDAC3 O15379 14/20 0.35
▸ HDAC1 Q13547 14/20 0.35
▸ HDAC4 P56524 7/20 0.35
▸ HDAC7 Q8WUI4 7/20 0.35
▸ HDAC2 Q92769 7/20 0.35
▸ HDAC10 Q969S8 7/20 0.35
▸ HDAC11 Q96DB2 7/20 0.35
▸ HDAC9 Q9UKV0 7/20 0.35
▸ HDAC5 Q9UQL6 7/20 0.35
▸ ERBB2 P04626 1/20 0.33

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
SCHEMBL22618828 0.94 ELANE (0.39) ELANEHDAC6ITGB3ITGAVITGB5
SCHEMBL22618756 0.93 ELANE (0.39) ELANEHDAC6ITGB3ITGAVITGB5
SCHEMBL21137619 0.93 ELANE (0.39) ELANEHDAC6ITGB3ITGAVITGB5
SCHEMBL22561464 0.92 HDAC6 (0.34) ELANEHDAC6HDAC8ITGB3ITGAV
SCHEMBL31682827 0.91 ELANE (0.36) ELANEHDAC6HDAC8ITGB3ITGAV
SCHEMBL21138197 0.90 ELANE (0.37) ELANEHDAC6HDAC8ITGB3ITGAV
SCHEMBL23193057 0.89 ELANE (0.35) ELANEHDAC6HDAC8ITGB3ITGAV
SCHEMBL23193211 0.88 ELANE (0.34) ELANEHDAC6HDAC8ITGB3ITGAV
SCHEMBL22618768 0.88 ELANE (0.38) ELANEHDAC6ITGB3ITGAVITGB5
SCHEMBL22618767 0.88 ELANE (0.38) ELANEHDAC6ITGB3ITGAVITGB5

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-20200347075-A1 BIOACTIVE CONJUGATE, PREPARATION METHOD THEREFOR AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2020-11-05 — — 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-20200347075-A1 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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