SCHEMBL26762296

SCHEMBL26762296

C/C=S(\C)c1ncc(C#CCCCC(=O)NCc2cnn(CCOCCNC(=O)COCC(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc3ccc(COC(=O)O[C@]4(CC)C(=O)OCc5c4cc4n(c5=O)Cc5c-4nc4ccccc4c5CCN(C(C)C)S(C)(=O)=O)cc3)c2)cn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 1/20 0.35
▸ ITGB3 P05106 5/20 0.34
▸ ITGAV P06756 5/20 0.34
▸ ITGB5 P18084 5/20 0.34
▸ HDAC1 Q13547 9/20 0.33
▸ HDAC6 Q9UBN7 9/20 0.33
▸ HDAC3 O15379 8/20 0.33
▸ HDAC2 Q92769 1/20 0.31
▸ HDAC10 Q969S8 1/20 0.31
▸ TOP1 P11387 2/20 0.30
▸ FOLH1 Q04609 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ GLA P06280 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ RXFP1 Q9HBX9 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 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
SCHEMBL21137877 0.91 HDAC1 (0.36) ELANEITGB3ITGAVITGB5HDAC1
SCHEMBL22618831 0.90 ELANE (0.38) ELANEITGB3ITGAVITGB5HDAC1
SCHEMBL22561402 0.90 ELANE (0.35) ELANEITGB3ITGAVITGB5HDAC1
SCHEMBL29293293 0.87 ELANE (0.38) ELANEITGB3ITGAVITGB5HDAC1
SCHEMBL31682827 0.86 ELANE (0.36) ELANEITGB3ITGAVITGB5HDAC1
SCHEMBL26762430 0.86 ELANE (0.38) ELANEITGB3ITGAVITGB5HDAC1
SCHEMBL22618794 0.86 ELANE (0.35) ELANEITGB3ITGAVITGB5HDAC1
SCHEMBL22561328 0.85 ELANE (0.37) ELANEITGB3ITGAVITGB5HDAC1
SCHEMBL26762261 0.85 ELANE (0.35) ELANEITGB3ITGAVITGB5HDAC1
SCHEMBL21137618 0.85 HDAC1 (0.36) ELANEITGB3ITGAVITGB5HDAC1

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-20230357259-A1 BIOACTIVE CONJUGATE, PREPARATION METHOD THEREFOR AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2023-11-09 — — 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-20230357259-A1 BIOACTIVE CONJUGATE, PREPARATION METHOD THEREFOR AND USE THEREOF DOCK11, PAICS, RHOA ELANE 3216/4885ITGB3 2186/4885ITGAV 672/4885

“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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