SCHEMBL17301050

SCHEMBL17301050

O=C(O)CCC(CN1C(=O)C=CC1=O)N1C(=O)C=CC1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 5/20 0.46
PTGS2 P35354 5/20 0.46
ALDH1A1 P00352 4/20 0.37
HPGD P15428 3/20 0.37
TP53 P04637 2/20 0.37
MAPK1 P28482 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GLA P06280 1/20 0.37
POLB P06746 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
ALOX12 P18054 1/20 0.37
NFKB1 P19838 1/20 0.37
APEX1 P27695 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP1A2 P05177 3/20 0.34
BLM P54132 2/20 0.33
CYP2C19 P33261 2/20 0.33
WRN Q14191 1/20 0.33
HIF1A Q16665 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
SCHEMBL21766262 0.87 PTGS1 (0.38) PTGS1PTGS2ALDH1A1HPGDTP53
SCHEMBL23339728 0.85 KMT2A (0.35) PTGS1PTGS2ALDH1A1HPGDTP53
SCHEMBL20763155 0.82 MME (0.34) PTGS1PTGS2
SCHEMBL2494888 0.81 PTGS1 (0.40) PTGS1PTGS2ALDH1A1HPGDTP53
SCHEMBL23339254 0.80 MME (0.33) PTGS1PTGS2
SCHEMBL20763230 0.79 MME (0.32) PTGS1PTGS2
SCHEMBL17453310 0.79 PTGS1 (0.40) PTGS1PTGS2ALDH1A1HPGDTP53
SCHEMBL20763356 0.78 PTGS1 (0.37) PTGS1PTGS2LMNAFOLH1PKM
SCHEMBL21766059 0.77 PTGS1 (0.39) PTGS1PTGS2MAPK1
SCHEMBL17452207 0.77 ALDH1A1 (0.36) ALDH1A1HPGDCYP1A2BLMCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11666623-B2 Tetramaleimide linkers and use thereof NEWBIO THERAPEUTICS, INC. (CN) 2023-06-06 US disclosed
US-11666623-B2 Tetramaleimide linkers and use thereof NEWBIO THERAPEUTICS, INC. (CN) 2023-06-06 US disclosed
US-11666623-B2 Tetramaleimide linkers and use thereof NEWBIO THERAPEUTICS, INC. (CN) 2023-06-06 US disclosed
US-20210388082-A1 Anti-CD79b Antibodies, Drug Conjugates, and Applications Thereof NEWBIO THERAPEUTICS, INC. (CN) 2021-12-16 US disclosed
US-20210128668-A1 TETRAMALEIMIDE LINKERS AND USE THEREOF NEWBIO THERAPEUTICS, INC. (CN) 2021-05-06 US disclosed
US-20210128668-A1 TETRAMALEIMIDE LINKERS AND USE THEREOF NEWBIO THERAPEUTICS, INC. (CN) 2021-05-06 US 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
WO-2019033773-A1 TETRAMALEIMIDE LINKERS AND USE THEREOF NEWBIO THERAPEUTICS, INC. (CN) 2019-02-21 WO 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 (5 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-20210388082-A1 Anti-CD79b Antibodies, Drug Conjugates, and Applications Thereof FCGR2A, FCGR3B, CD99 PTGS1 4729/4885PTGS2 4600/4885ALDH1A1 2522/4885
US-10960082-B2 Tridentate connexon and use thereof DNTT, CD2, CLTA PTGS1 4587/4885PTGS2 4795/4885ALDH1A1 2383/4885
US-20210128668-A1 TETRAMALEIMIDE LINKERS AND USE THEREOF MCTS1, CA14, TTL PTGS1 3928/4885PTGS2 4378/4885ALDH1A1 987/4885
US-11666623-B2 Tetramaleimide linkers and use thereof MCTS1, CA14, TTL PTGS1 3928/4885PTGS2 4378/4885ALDH1A1 987/4885

“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.