SCHEMBL21138196

SCHEMBL21138196

CC[C@@]1(OC(=O)OCc2ccc(NC(=O)[C@H](CCCCN)NC(=O)COCC(N)=O)cc2)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2CCN(C(C)C)S(C)(=O)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 8/20 0.43
▸ HDAC3 O15379 8/20 0.41
▸ HDAC1 Q13547 8/20 0.41
▸ HDAC6 Q9UBN7 8/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ GLA P06280 2/20 0.41
▸ RXFP1 Q9HBX9 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ HIF1A Q16665 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ ELANE P08246 1/20 0.39
▸ NPC1 O15118 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ PAX8 Q06710 1/20 0.36

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
SCHEMBL21263575 0.94 TOP1 (0.43) TOP1HDAC3HDAC1HDAC6KDM4E
SCHEMBL21263577 0.94 TOP1 (0.44) TOP1HDAC3HDAC1HDAC6KDM4E
SCHEMBL21137833 0.94 ELANE (0.42) TOP1HDAC3HDAC1HDAC6KDM4E
SCHEMBL21263561 0.93 TOP1 (0.44) TOP1HDAC3HDAC1HDAC6KDM4E
SCHEMBL27410729 0.93 TOP1 (0.41) TOP1HDAC3HDAC1HDAC6KDM4E
SCHEMBL26642562 0.93 TOP1 (0.45) TOP1HDAC3HDAC1HDAC6KDM4E
SCHEMBL21263572 0.92 TOP1 (0.43) TOP1HDAC3HDAC1HDAC6KDM4E
SCHEMBL22618774 0.92 TOP1 (0.44) TOP1HDAC3HDAC1HDAC6KDM4E
SCHEMBL21176780 0.91 TOP1 (0.42) TOP1HDAC3HDAC1HDAC6KDM4E
SCHEMBL21263564 0.91 TOP1 (0.43) TOP1HDAC3HDAC1HDAC6KDM4E

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024123914-A1 PROCESS FOR MAKING ANTIBODY-DRUG CONJUGATES MERCK SHARP & DOHME LLC (US) 2024-06-13 — — WO disclosed
US-20230357259-A1 BIOACTIVE CONJUGATE, PREPARATION METHOD THEREFOR AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2023-11-09 — — US disclosed
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-2019154120-A1 CYTOTOXIC AGENT AND CONJUGATE THEREOF, PREPARATION METHOD THEREFOR AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2019-08-15 — — WO 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 (3 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 TOP1 1222/4885HDAC3 3043/4885HDAC1 1777/4885
US-20200347075-A1 BIOACTIVE CONJUGATE, PREPARATION METHOD THEREFOR AND USE THEREOF DOCK11, PAICS, RHOA TOP1 1222/4885HDAC3 3043/4885HDAC1 1777/4885
US-20210101906-A2 BIOACTIVE CONJUGATE, PREPARATION METHOD THEREFOR AND USE THEREOF DOCK11, PAICS, RHOA TOP1 1222/4885HDAC3 3043/4885HDAC1 1777/4885

“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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