SCHEMBL21137580

SCHEMBL21137580

CC[C@@]1(OC(=O)OCc2ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)CCCC#Cc3cnc(S(C)(=O)=O)nc3)C(C)C)cc2)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2CCN(C(C)C)S(C)(=O)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 1/20 0.38
▸ HDAC6 Q9UBN7 9/20 0.37
▸ HDAC3 O15379 8/20 0.37
▸ HDAC1 Q13547 8/20 0.37
▸ TOP1 P11387 4/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ GLA P06280 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ ERBB2 P04626 1/20 0.34
▸ HSP90AA1 P07900 2/20 0.33
▸ FAP Q12884 1/20 0.32
▸ HDAC8 Q9BY41 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
SCHEMBL22618730 0.96 ELANE (0.38) ELANEHDAC6HDAC3HDAC1TOP1
SCHEMBL23193034 0.94 ELANE (0.36) ELANEHDAC6HDAC3HDAC1TOP1
SCHEMBL22618697 0.90 HDAC6 (0.48) ELANEHDAC6HDAC3HDAC1HSP90AA1
SCHEMBL22618789 0.90 ELANE (0.35) ELANEHDAC6HDAC3HDAC1TOP1
SCHEMBL29293293 0.89 ELANE (0.38) ELANEHDAC6HDAC3HDAC1TOP1
SCHEMBL22618831 0.88 ELANE (0.38) ELANEHDAC6HDAC3HDAC1TOP1
SCHEMBL22618818 0.88 TOP1 (0.43) ELANEHDAC6HDAC3HDAC1TOP1
SCHEMBL21137618 0.87 HDAC1 (0.36) ELANEHDAC6HDAC3HDAC1TOP1
SCHEMBL21137877 0.86 HDAC1 (0.36) ELANEHDAC6HDAC3HDAC1TOP1
SCHEMBL26762430 0.85 ELANE (0.38) 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 4 patents. 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
US-20200347075-A1 BIOACTIVE CONJUGATE, PREPARATION METHOD THEREFOR AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2020-11-05 — — US disclosed
EP-3725798-A1 BIOACTIVE CONJUGATE, PREPARATION METHOD THEREFOR AND USE THEREOF Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) 2020-10-21 — — EP disclosed
WO-2019114666-A1 BIOACTIVE CONJUGATE, PREPARATION METHOD THEREFOR AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2019-06-20 — — WO 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 (2 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 384/4885HDAC3 3043/4885
US-20210101906-A2 BIOACTIVE CONJUGATE, PREPARATION METHOD THEREFOR AND USE THEREOF DOCK11, PAICS, RHOA ELANE 3216/4885HDAC6 384/4885HDAC3 3043/4885

“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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