SCHEMBL20529422

SCHEMBL20529422

CC(C)(C)OC(=O)C[C@H](NC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)CCOCCOCCOCCNC(=O)C(C(C(=O)NCCOCCOCCOCCC(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)OC(C)(C)C)C(=O)Nc1ccc(CO)cc1)N1C(=O)C=CC1=O)N1C(=O)C=CC1=O)C(=O)Nc1ccc(CO)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 3/20 0.39
▸ CA2 P00918 3/20 0.39
▸ SIRT5 Q9NXA8 1/20 0.39
▸ KDM4E B2RXH2 3/20 0.36
▸ MAPT P10636 3/20 0.36
▸ TDP1 Q9NUW8 3/20 0.36
▸ GLA P06280 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ PAX8 Q06710 1/20 0.36
▸ PSEN1 P49768 2/20 0.34
▸ PSEN2 P49810 2/20 0.34
▸ APH1B Q8WW43 2/20 0.34
▸ NCSTN Q92542 2/20 0.34
▸ APH1A Q96BI3 2/20 0.34
▸ PSENEN Q9NZ42 2/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ AKT1 P31749 1/20 0.34
▸ SUCNR1 Q9BXA5 1/20 0.34
▸ GLP1R P43220 3/20 0.33
▸ PSMB8 P28062 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
SCHEMBL20529521 0.87 CA1 (0.45) CA1CA2SIRT5KDM4EMAPT
SCHEMBL20529519 0.87 CA1 (0.45) CA1CA2SIRT5KDM4EMAPT
SCHEMBL20529548 0.84 CA1 (0.41) CA1CA2SIRT5KDM4EMAPT
SCHEMBL20529545 0.84 CA1 (0.41) CA1CA2SIRT5KDM4EMAPT
SCHEMBL25401869 0.80 CA1 (0.38) CA1CA2SIRT5KDM4EMAPT
SCHEMBL21450348 0.80 CA1 (0.38) CA1CA2SIRT5KDM4EMAPT
SCHEMBL25945505 0.78 CA1 (0.44) CA1CA2SIRT5KDM4EMAPT
SCHEMBL29467737 0.76 ADCY6 (0.34) CA1CA2SUCNR1
SCHEMBL23451381 0.76 CA1 (0.38) CA1CA2SIRT5KDM4EMAPT
SCHEMBL23451380 0.76 CA1 (0.38) CA1CA2SIRT5KDM4EMAPT

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
US-20230010108-A1 A CONJUGATION LINKER CONTAINING 2,3-DIAMINOSUCCINYL GROUP HANGZHOU DAC BIOTECH CO., LTD. (CN) 2023-01-12 — — US disclosed
US-20230001001-A1 CONJUGATION OF A CYTOTOXIC DRUG WITH BIS-LINKAGE HANGZHOU DAC BIOTECH CO., LTD. (CN) 2023-01-05 — — US disclosed
US-20210393790-A1 CONJUGATION OF A CYTOTOXIC DRUG WITH BIS-LINKAGE HANGZHOU DAC BIOTECH CO., LTD. (CN) 2021-12-23 — — US disclosed
US-20210169896-A1 A CROSS-LINKED PYRROLOBENZODIAZEPINE DIMER (PBD) DERIVATIVE AND ITS CONJUGATES HANGZHOU DAC BIOTECH CO., LTD. (CN) 2021-06-10 — — US disclosed
US-20200069814-A1 CONJUGATION OF A CYTOTOXIC DRUG WITH BIS-LINKAGE HANGZHOU DAC BIOTECH CO., LTD. (CN) 2020-03-05 — — US disclosed
EP-3606922-A1 CONJUGATION OF A CYTOTOXIC DRUG WITH BIS-LINKAGE Hangzhou Dac Biotech Co., Ltd (CN) 2020-02-12 — — EP disclosed
WO-2018185526-A1 CONJUGATION OF A CYTOTOXIC DRUG WITH BIS-LINKAGE HANGZHOU DAC BIOTECH CO., LTD (CN) 2018-10-11 — — 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 (5 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-20200069814-A1 CONJUGATION OF A CYTOTOXIC DRUG WITH BIS-LINKAGE CD4, MCL1, CCNB1 CA1 558/4885CA2 1753/4885SIRT5 3829/4885
US-20230001001-A1 CONJUGATION OF A CYTOTOXIC DRUG WITH BIS-LINKAGE CD4, MCL1, CCNB1 CA1 558/4885CA2 1753/4885SIRT5 3829/4885
US-20210169896-A1 A CROSS-LINKED PYRROLOBENZODIAZEPINE DIMER (PBD) DERIVATIVE AND ITS CONJUGATES PBDC1, BRD2, CD79B CA1 1942/4885CA2 3690/4885SIRT5 2667/4885
US-20230010108-A1 A CONJUGATION LINKER CONTAINING 2,3-DIAMINOSUCCINYL GROUP DAO, DDO, DCLRE1A CA1 325/4885CA2 690/4885SIRT5 851/4885
US-20210393790-A1 CONJUGATION OF A CYTOTOXIC DRUG WITH BIS-LINKAGE CD4, MCL1, CCNB1 CA1 558/4885CA2 1753/4885SIRT5 3829/4885

“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.

Send feedback