SCHEMBL31682882

SCHEMBL31682882

CCC1(OC(=O)OCc2ccc(NC(=O)[C@H](CCCCNC(c3ccccc3)(c3ccccc3)c3ccc(OC)cc3)NC(=O)COCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCn3cc(CNC(=O)CCCC#Cc4cnc(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 0.34
▸ HDAC8 Q9BY41 8/20 0.34
▸ HDAC3 O15379 14/20 0.34
▸ HDAC1 Q13547 14/20 0.34
▸ HDAC4 P56524 7/20 0.34
▸ HDAC7 Q8WUI4 7/20 0.34
▸ HDAC2 Q92769 7/20 0.34
▸ HDAC10 Q969S8 7/20 0.34
▸ HDAC11 Q96DB2 7/20 0.34
▸ HDAC9 Q9UKV0 7/20 0.34
▸ HDAC5 Q9UQL6 7/20 0.34
▸ FOLH1 Q04609 1/20 0.32
▸ ITGB3 P05106 2/20 0.30
▸ ITGAV P06756 2/20 0.30
▸ ITGB5 P18084 2/20 0.30

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
SCHEMBL31682827 0.93 ELANE (0.36) ELANEHDAC6HDAC8HDAC3HDAC1
SCHEMBL22561402 0.88 ELANE (0.35) ELANEHDAC6HDAC8HDAC3HDAC1
SCHEMBL29293293 0.88 ELANE (0.38) ELANEHDAC6HDAC3HDAC1HDAC2
SCHEMBL23193211 0.87 ELANE (0.34) ELANEHDAC6HDAC8HDAC3HDAC1
SCHEMBL27410362 0.87 HDAC6 (0.34) ELANEHDAC6HDAC8HDAC3HDAC1
SCHEMBL21138197 0.85 ELANE (0.37) ELANEHDAC6HDAC8HDAC3HDAC1
SCHEMBL22618829 0.85 ELANE (0.35) ELANEHDAC6HDAC8HDAC3HDAC1
SCHEMBL22561323 0.85 ELANE (0.35) ELANEHDAC6HDAC8HDAC3HDAC1
SCHEMBL22561273 0.84 ELANE (0.35) ELANEHDAC6HDAC8HDAC3HDAC1
SCHEMBL23193147 0.84 ELANE (0.34) ELANEHDAC6HDAC8HDAC3HDAC1

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-20250281631-A1 ANTIBODY-DRUG CONJUGATES AND PREPARATION METHODS AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2025-09-11 — — 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-20250281631-A1 ANTIBODY-DRUG CONJUGATES AND PREPARATION METHODS AND USE THEREOF TOP1, TOP2A, TOP2B ELANE 2611/4885HDAC6 923/4885HDAC8 869/4885

“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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