SCHEMBL17301048

SCHEMBL17301048

O=C(O)COC(CN1C(=O)C=CC1=O)CN1C(=O)C=CC1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 5/20 0.41
PTGS2 P35354 5/20 0.41
ALDH1A1 P00352 3/20 0.38
BLM P54132 2/20 0.38
HPGD P15428 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
WRN Q14191 1/20 0.38
HIF1A Q16665 1/20 0.38
GSK3A P49840 4/20 0.37
GSK3B P49841 4/20 0.37
MGLL Q99685 8/20 0.34
FAAH O00519 4/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
GMNN O75496 1/20 0.34
THPO P40225 1/20 0.34
PMP22 Q01453 1/20 0.34
HSP90AA1 P07900 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
SCHEMBL17301071 0.89 PTGS1 (0.42) PTGS1PTGS2ALDH1A1BLMHPGD
SCHEMBL21766067 0.89 PTGS1 (0.36) PTGS1PTGS2ALDH1A1BLMHPGD
SCHEMBL17301072 0.85 PTGS1 (0.33) PTGS1PTGS2ALDH1A1BLMHPGD
SCHEMBL23286111 0.84 ALDH1A1 (0.41) PTGS1PTGS2ALDH1A1BLMHPGD
SCHEMBL21766064 0.82 PTGS1 (0.35) PTGS1PTGS2ALDH1A1BLMHPGD
SCHEMBL26421391 0.80 ALDH1A1 (0.38) PTGS1PTGS2ALDH1A1BLMHPGD
SCHEMBL22152333 0.77 RGS4 (0.43)
SCHEMBL17301101 0.75 ALDH1A1 (0.34) ALDH1A1BLMHPGDCYP1A2CYP2C19
SCHEMBL23296186 0.73 PTGS1 (0.31) PTGS1PTGS2
SCHEMBL27561330 0.71 ALDH1A1 (0.43) PTGS1PTGS2ALDH1A1BLMHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210230218-A1 OLIGOPEPTIDE LINKER INTERMEDIATE AND PREPARATION METHOD THEREOF MABPLEX INTERNATIONAL, LTD. (CN) 2021-07-29 US disclosed
EP-3838913-A1 OLIGOPEPTIDE LINKER INTERMEDIATE AND PREPARATION METHOD THEREFOR MabPlex International Co., Ltd. (CN) 2021-06-23 EP disclosed
WO-2021077317-A1 OLIGOPEPTIDE LINKER INTERMEDIATE AND PREPARATION METHOD THEREFOR 烟台迈百瑞国际生物医药股份有限公司 2021-04-29 WO disclosed
US-10960082-B2 Tridentate connexon and use thereof NEWBIO THERAPEUTICS, INC. (CN) 2021-03-30 US disclosed
EP-2949343-B1 TRIDENTATE CONNEXON AND USE THEREOF NEWBIO THERAPEUTICS INC (CN) 2020-02-26 EP disclosed
US-20160015832-A1 TRIDENTATE CONNEXON AND USE THEREOF NEWBIO THERAPEUTICS, INC. (CN) 2016-01-21 US disclosed
US-20160015832-A1 TRIDENTATE CONNEXON AND USE THEREOF NEWBIO THERAPEUTICS, INC. (CN) 2016-01-21 US disclosed
EP-2949343-A1 TRIDENTATE CONNEXON AND USE THEREOF Newbio Therapeutics Inc. (CN) 2015-12-02 EP 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-20160015832-A1 TRIDENTATE CONNEXON AND USE THEREOF DNTT, CD2, CD4 PTGS1 4578/4885PTGS2 4792/4885ALDH1A1 2349/4885
US-10960082-B2 Tridentate connexon and use thereof DNTT, CD2, CLTA PTGS1 4587/4885PTGS2 4795/4885ALDH1A1 2383/4885
US-20210230218-A1 OLIGOPEPTIDE LINKER INTERMEDIATE AND PREPARATION METHOD THEREOF VIP, DNPEP, PREP PTGS1 3480/4885PTGS2 3902/4885ALDH1A1 4667/4885

“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.