SCHEMBL23451372

SCHEMBL23451372

CC(C)(C)OC(=O)CCCNC(=O)[C@@H](NC(=O)OCc1ccccc1)[C@@H](NC(=O)OCc1ccccc1)C(=O)NCCCC(=O)OC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 1/20 0.54
▸ CAPN1 P07384 1/20 0.53
▸ CAPN2 P17655 1/20 0.53
▸ MAPT P10636 1/20 0.52
▸ HTT P42858 1/20 0.52
▸ CTSL P07711 5/20 0.52
▸ CTSS P25774 5/20 0.52
▸ CTSB P07858 3/20 0.50
▸ CA2 P00918 1/20 0.49
▸ CA5A P35218 1/20 0.49
▸ CA1 P00915 1/20 0.48
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ CTSK P43235 4/20 0.46
▸ LMNA P02545 1/20 0.46
▸ SIRT1 Q96EB6 1/20 0.45

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
SCHEMBL23451373 1.00 SYK (0.54) SYKCAPN1CAPN2MAPTHTT
SCHEMBL31720396 0.97 SYK (0.51) SYKCAPN1CAPN2MAPTHTT
SCHEMBL29467603 0.97 SYK (0.51) SYKCAPN1CAPN2MAPTHTT
SCHEMBL29390915 0.97 SYK (0.51) SYKCAPN1CAPN2MAPTHTT
SCHEMBL29467638 0.91 SMN1; SMN2 (0.47) SYKCAPN1CAPN2MAPTHTT
SCHEMBL29548496 0.91 SMN1; SMN2 (0.47) SYKCAPN1CAPN2MAPTHTT
SCHEMBL30407162 0.91 SMN1; SMN2 (0.47) SYKCAPN1CAPN2MAPTHTT
SCHEMBL20529378 0.90 CAPN1 (0.54) SYKCAPN1CAPN2MAPTHTT
SCHEMBL29467718 0.87 CAPN1 (0.47) SYKCAPN1CAPN2MAPTHTT
SCHEMBL16975020 0.87 HTT (0.68) SYKMAPTHTTLMNA

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 2 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-20210169896-A1 A CROSS-LINKED PYRROLOBENZODIAZEPINE DIMER (PBD) DERIVATIVE AND ITS CONJUGATES HANGZHOU DAC BIOTECH CO., LTD. (CN) 2021-06-10 — — 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 (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-20210169896-A1 A CROSS-LINKED PYRROLOBENZODIAZEPINE DIMER (PBD) DERIVATIVE AND ITS CONJUGATES PBDC1, BRD2, CD79B SYK 2939/4885CAPN1 2714/4885CAPN2 2517/4885
US-20230010108-A1 A CONJUGATION LINKER CONTAINING 2,3-DIAMINOSUCCINYL GROUP DAO, DDO, DCLRE1A SYK 1769/4885CAPN1 1848/4885CAPN2 1681/4885

“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