SCHEMBL23451326

SCHEMBL23451326

O=C(O)CCCNC(=O)C(NC(=O)OCc1ccccc1)C(NC(=O)OCc1ccccc1)C(=O)NCCCC(=O)O

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.72
▸ CAPN1 P07384 1/20 0.56
▸ CAPN2 P17655 1/20 0.56
▸ CTSL P07711 2/20 0.56
▸ CTSS P25774 2/20 0.56
▸ SIRT5 Q9NXA8 4/20 0.55
▸ FOLH1 Q04609 2/20 0.55
▸ CTSB P07858 1/20 0.54
▸ MME P08473 1/20 0.54
▸ ECE1 P42892 1/20 0.54
▸ CA2 P00918 1/20 0.53
▸ CA5A P35218 1/20 0.53
▸ CA1 P00915 1/20 0.51
▸ PTGER4 P35408 3/20 0.50
▸ ATM Q13315 1/20 0.50

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
SCHEMBL23451325 1.00 HTT (0.72) HTTCAPN1CAPN2CTSLCTSS
SCHEMBL7760301 0.90 HTT (0.62) HTTCAPN1CAPN2CTSLCTSS
SCHEMBL29467703 0.88 HTT (0.57) HTTCAPN1CAPN2CTSLCTSS
SCHEMBL30407736 0.88 HTT (0.57) HTTCAPN1CAPN2CTSLCTSS
SCHEMBL9006385 0.86 HTT (0.57) HTTCAPN1CAPN2CTSLCTSS
SCHEMBL29467716 0.85 HTT (0.53) HTTCAPN1CAPN2CTSLCTSS
SCHEMBL23451372 0.85 SYK (0.54) HTTCAPN1CAPN2CTSLCTSS
SCHEMBL23451373 0.85 SYK (0.54) HTTCAPN1CAPN2CTSLCTSS
SCHEMBL319161 0.84 HTT (1.00) HTTFOLH1ATM
SCHEMBL9113504 0.84 CA2 (0.67) HTTCAPN1CAPN2CTSLCTSS

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 HTT 3654/4885CAPN1 2714/4885CAPN2 2517/4885
US-20230010108-A1 A CONJUGATION LINKER CONTAINING 2,3-DIAMINOSUCCINYL GROUP DAO, DDO, DCLRE1A HTT 3275/4885CAPN1 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.

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