SCHEMBL21772533

SCHEMBL21772533

CC(C)(C)OC(=O)C[C@H](NC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)CCOCCOCCOCCN=[N+]=[N-])C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 8/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CA1 P00915 3/20 0.35
▸ CA2 P00918 3/20 0.35
▸ FOLH1 Q04609 2/20 0.35
▸ SUCNR1 Q9BXA5 4/20 0.34
▸ SIRT5 Q9NXA8 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL21611678 1.00 GLP1R (0.38) GLP1RMEN1GAAKMT2ACA1
SCHEMBL20529545 0.87 CA1 (0.41) GAAKMT2ACA1CA2FOLH1
SCHEMBL20529548 0.87 CA1 (0.41) GAAKMT2ACA1CA2FOLH1
SCHEMBL20530100 0.84 FOLH1 (0.49) FOLH1
SCHEMBL25913008 0.84 TDP1 (0.46) MEN1GAAKMT2ACA1CA2
SCHEMBL30895514 0.83 ALB (0.43) GLP1RMEN1GAAKMT2A
SCHEMBL29326160 0.82 GLP1R (0.46) GLP1RFOLH1
SCHEMBL24630078 0.82 GLP1R (0.41) GLP1RMEN1KMT2AFOLH1TDP1
SCHEMBL29521507 0.81 KLK7 (0.48) MEN1KMT2AFOLH1TDP1
SCHEMBL26241451 0.81 KLK7 (0.48) MEN1KMT2AFOLH1TDP1

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-20230010108-A1 A CONJUGATION LINKER CONTAINING 2,3-DIAMINOSUCCINYL GROUP HANGZHOU DAC BIOTECH CO., LTD. (CN) 2023-01-12 — — US disclosed
US-20210369855-A1 CONJUGATION OF A CYTOTOXIC DRUG WITH BIS-LINKAGE HANGZHOU DAC BIOTECH CO., LTD. (CN) 2021-12-02 — — 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 GLP1R 2673/4885MEN1 106/4885GAA 1488/4885
US-20210369855-A1 CONJUGATION OF A CYTOTOXIC DRUG WITH BIS-LINKAGE CD4, MCL1, CCNB1 GLP1R 2673/4885MEN1 106/4885GAA 1488/4885
US-20210169896-A1 A CROSS-LINKED PYRROLOBENZODIAZEPINE DIMER (PBD) DERIVATIVE AND ITS CONJUGATES PBDC1, BRD2, CD79B GLP1R 4709/4885MEN1 4466/4885GAA 3636/4885
US-20230010108-A1 A CONJUGATION LINKER CONTAINING 2,3-DIAMINOSUCCINYL GROUP DAO, DDO, DCLRE1A GLP1R 4508/4885MEN1 2619/4885GAA 2513/4885

“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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