SCHEMBL23482804

SCHEMBL23482804

O=C(O)CCCNC(=O)[C@@H](NC(=O)CCN1C(=O)C=CC1=O)[C@@H](NC(=O)CCN1C(=O)C=CC1=O)C(=O)NCCCC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 4/20 0.50
▸ PTGS2 P35354 4/20 0.50
▸ ATM Q13315 1/20 0.38
▸ AKT1 P31749 1/20 0.37
▸ FNTA P49354 2/20 0.37
▸ FNTB P49356 2/20 0.37
▸ FAAH O00519 2/20 0.35
▸ MGLL Q99685 2/20 0.35
▸ HSP90AA1 P07900 1/20 0.34
▸ TLR9 Q9NR96 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ XBP1 P17861 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ RECQL P46063 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
SCHEMBL23451319 1.00 PTGS1 (0.50) PTGS1PTGS2ATMAKT1FNTA
SCHEMBL24872388 0.94 PTGS1 (0.45) PTGS1PTGS2ATMAKT1FNTA
SCHEMBL25130218 0.94 PTGS1 (0.52) PTGS1PTGS2ATMAKT1FAAH
SCHEMBL25939244 0.94 PTGS1 (0.52) PTGS1PTGS2ATMAKT1FAAH
SCHEMBL23482534 0.94 PTGS1 (0.52) PTGS1PTGS2ATMAKT1FAAH
SCHEMBL23451312 0.94 PTGS1 (0.52) PTGS1PTGS2ATMAKT1FAAH
SCHEMBL24872323 0.88 PTGS1 (0.44) PTGS1PTGS2ATMAKT1LMNA
SCHEMBL24872313 0.88 PTGS1 (0.44) PTGS1PTGS2ATMAKT1LMNA
SCHEMBL21898425 0.84 PTGS1 (0.60) PTGS1PTGS2ATMFAAHMGLL
SCHEMBL23451337 0.82 AKT1 (0.46) PTGS1PTGS2AKT1FNTAFNTB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230241241-A1 CONJUGATES OF A CELL-BINDING MOLECULE WITH CAMPTOTHECIN ANALOGS HANGZHOU DAC BIOTECH CO., LTD. (CN) 2023-08-03 — — US disclosed
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 (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-20210169896-A1 A CROSS-LINKED PYRROLOBENZODIAZEPINE DIMER (PBD) DERIVATIVE AND ITS CONJUGATES PBDC1, BRD2, CD79B PTGS1 3773/4885PTGS2 3023/4885ATM 4443/4885
US-20230010108-A1 A CONJUGATION LINKER CONTAINING 2,3-DIAMINOSUCCINYL GROUP DAO, DDO, DCLRE1A PTGS1 3834/4885PTGS2 2819/4885ATM 3786/4885
US-20230241241-A1 CONJUGATES OF A CELL-BINDING MOLECULE WITH CAMPTOTHECIN ANALOGS CD4, DCLRE1A, TOP1 PTGS1 3350/4885PTGS2 4141/4885ATM 795/4885

“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