SCHEMBL2040235

SCHEMBL2040235

Cc1ccc(O)c(-n2[nH]c(=O)n(-c3ccccc3)c2=O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.41
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
GAA P10253 6/20 0.40
POLB P06746 3/20 0.40
KDM4E B2RXH2 3/20 0.40
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
THRB P10828 2/20 0.39
KMT2A Q03164 4/20 0.39
PGR P06401 1/20 0.38
ALDH1A1 P00352 2/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 3/20 0.38
ALKBH5 Q6P6C2 1/20 0.37
AURKA O14965 1/20 0.37
DAPK3 O43293 1/20 0.37
PDGFRA P16234 1/20 0.37

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
SCHEMBL16906269 0.92 ALDH1A1 (0.39) LMNARAB9ANPC1GAAPOLB
SCHEMBL2045853 0.86 GAA (0.41) GAAPOLBKDM4ECYP2C9THRB
SCHEMBL2035877 0.84 GAA (0.46) LMNANPC1GAAPOLBKDM4E
SCHEMBL15730305 0.83 POLB (0.40) LMNAGAAPOLBKDM4ECYP2C9
SCHEMBL13719690 0.83 NTRK1 (0.51) LMNAPOLBKDM4EKMT2AALDH1A1
SCHEMBL2042298 0.80 NTRK1 (0.45) LMNARAB9ANPC1GAAPOLB
SCHEMBL2040945 0.78 ESR1 (0.40) LMNARAB9ANPC1GAAKDM4E
SCHEMBL23352535 0.78 HCRTR1 (0.35) POLBALDH1A1
SCHEMBL2039759 0.77 AURKA (0.42) LMNARAB9ANPC1GAAPOLB
SCHEMBL2043266 0.76 AURKA (0.46) LMNARAB9ANPC1GAAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12024549-B2 Compound having affinity substance to soluble protein, cleavable portion and reactive group, or salt thereof AJINOMOTO CO., INC. (JP) 2024-07-02 US disclosed
US-20210300972-A1 COMPOUND HAVING AFFINITY SUBSTANCE TO ANTIBODY, CLEAVABLE PORTION, AND REACTIVE GROUP, OR SALT THEREOF AJINOMOTO CO., INC. (JP) 2021-09-30 US disclosed
US-20140378668-A1 Tyrosine Bioconjugation through Aqueous Ene-Like Reactions SCRIPPS RESEARCH INST (US) 2014-12-25 US disclosed
US-20140378668-A1 Tyrosine Bioconjugation through Aqueous Ene-Like Reactions SCRIPPS RESEARCH INST (US) 2014-12-25 US disclosed
US-20140378668-A1 Tyrosine Bioconjugation through Aqueous Ene-Like Reactions SCRIPPS RESEARCH INST (US) 2014-12-25 US disclosed
US-8765920-B2 Tyrosine bioconjugation through aqueous Ene-like reactions THE SCRIPPS RESEARCH INSTITUTE (US) 2014-07-01 US disclosed
US-8765920-B2 Tyrosine bioconjugation through aqueous Ene-like reactions THE SCRIPPS RESEARCH INSTITUTE (US) 2014-07-01 US disclosed
US-8765920-B2 Tyrosine bioconjugation through aqueous Ene-like reactions THE SCRIPPS RESEARCH INSTITUTE (US) 2014-07-01 US disclosed
US-20120289682-A1 Tyrosine Bioconjugation through Aqueous Ene-Like Reactions THE SCRIPPS RESEARCH INSTITUTE 2012-11-15 US disclosed
US-20120289682-A1 Tyrosine Bioconjugation through Aqueous Ene-Like Reactions THE SCRIPPS RESEARCH INSTITUTE 2012-11-15 US disclosed
US-20120289682-A1 Tyrosine Bioconjugation through Aqueous Ene-Like Reactions THE SCRIPPS RESEARCH INSTITUTE 2012-11-15 US disclosed
EP-2515914-A1 TYROSINE BIOCONJUGATION THROUGH AQUEOUS ENE-LIKE REACTIONS The Scripps Research Institute (US) 2012-10-31 EP disclosed
WO-2011079315-A1 TYROSINE BIOCONJUGATION THROUGH AQUEOUS ENE-LIKE REACTIONS THE SCRIPPS RESEARCH INSTITUTE (US) 2011-06-30 WO disclosed
WO-2011079315-A1 TYROSINE BIOCONJUGATION THROUGH AQUEOUS ENE-LIKE REACTIONS THE SCRIPPS RESEARCH INSTITUTE (US) 2011-06-30 WO 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 (4 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-12024549-B2 Compound having affinity substance to soluble protein, cleavable portion and reactive group, or salt thereof SPPL2B, CSTB, SPPL2A LMNA 1617/4885RAB9A 1212/4885NPC1 4087/4885
US-20210300972-A1 COMPOUND HAVING AFFINITY SUBSTANCE TO ANTIBODY, CLEAVABLE PORTION, AND REACTIVE GROUP, OR SALT THEREOF FCGR3B, FCGR2A, QPCTL LMNA 1932/4885RAB9A 435/4885NPC1 4690/4885
US-20140378668-A1 Tyrosine Bioconjugation through Aqueous Ene-Like Reactions TYR, DNPEP, TH LMNA 4665/4885RAB9A 2053/4885NPC1 4884/4885
US-20120289682-A1 Tyrosine Bioconjugation through Aqueous Ene-Like Reactions TYR, DNPEP, TH LMNA 4665/4885RAB9A 2053/4885NPC1 4884/4885

“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.