SCHEMBL84331

SCHEMBL84331

O=C(CCCCCNC(=O)OCC1c2ccccc2-c2ccccc21)ON1C(=O)CCC1=O

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.66
▸ TLR2 O60603 2/20 0.42
▸ TLR1 Q15399 1/20 0.42
▸ TPSAB1 Q15661 3/20 0.40
▸ TPSD1 Q9BZJ3 3/20 0.40
▸ TPSG1 Q9NRR2 3/20 0.40
▸ EPHX2 P34913 1/20 0.40
▸ PLG P00747 1/20 0.39
▸ ELANE P08246 1/20 0.39
▸ OPRD1 P41143 1/20 0.38
▸ CASP3 P42574 1/20 0.37
▸ NAMPT P43490 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
SCHEMBL20529972 1.00 KMT2A (0.66) KMT2ATLR2TLR1TPSAB1TPSD1
SCHEMBL30532196 1.00 KMT2A (0.66) KMT2ATLR2TLR1TPSAB1TPSD1
SCHEMBL30532195 1.00 KMT2A (0.66) KMT2ATLR2TLR1TPSAB1TPSD1
SCHEMBL5370368 0.96 KMT2A (0.59) KMT2ATLR2TLR1TPSAB1TPSD1
SCHEMBL31603929 0.92 KMT2A (0.56) KMT2ATLR2TLR1EPHX2OPRD1
SCHEMBL15692103 0.92 KMT2A (0.56) KMT2ATLR2TLR1EPHX2OPRD1
SCHEMBL30905361 0.92 KMT2A (0.56) KMT2ATLR2TLR1EPHX2OPRD1
SCHEMBL31309796 0.87 KMT2A (0.51) KMT2ATLR2TLR1EPHX2OPRD1
SCHEMBL83644 0.87 KMT2A (0.51) KMT2ATLR2TLR1EPHX2OPRD1
SCHEMBL31310023 0.87 KMT2A (0.51) KMT2ATLR2TLR1EPHX2OPRD1

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230277682-A1 VERRUCARIN A DERIVATIVES AND ANTIBODY DRUG CONJUGATES THEREOF REGENERON PHARMACEUTICALS, INC. 2023-09-07 — — US disclosed
US-20230277682-A1 VERRUCARIN A DERIVATIVES AND ANTIBODY DRUG CONJUGATES THEREOF REGENERON PHARMACEUTICALS, INC. 2023-09-07 — — US disclosed
US-20170260232-A1 TUBULYSIN COMPOUNDS, METHODS OF MAKING AND USE BRISTOL-MYERS SQUIBB COMPANY 2017-09-14 — — US disclosed
US-20170260232-A1 TUBULYSIN COMPOUNDS, METHODS OF MAKING AND USE BRISTOL-MYERS SQUIBB COMPANY 2017-09-14 — — US disclosed
US-20170233436-A1 BENZODIAZEPINE DIMERS, CONJUGATES THEREOF, AND METHODS OF MAKING AND USING BRISTOL-MYERS SQUIBB COMPANY 2017-08-17 — — US disclosed
US-9688721-B2 Tubulysin compounds, methods of making and use BRISTOL-MYERS SQUIBB COMPANY (US) 2017-06-27 — — US disclosed
US-9688721-B2 Tubulysin compounds, methods of making and use BRISTOL-MYERS SQUIBB COMPANY (US) 2017-06-27 — — US disclosed
US-9676794-B2 Benzodiazepine dimers, conjugates thereof, and methods of making and using BRISTOL-MYERS SQUIBB COMPANY (US) 2017-06-13 — — US disclosed
EP-2956173-B1 TUBULYSIN COMPOUNDS, METHODS OF MAKING AND USE BRISTOL MYERS SQUIBB CO (US) 2017-03-29 — — EP disclosed
EP-2956173-B1 TUBULYSIN COMPOUNDS, METHODS OF MAKING AND USE BRISTOL MYERS SQUIBB CO (US) 2017-03-29 — — EP disclosed
US-20140227295-A1 TUBULYSIN COMPOUNDS, METHODS OF MAKING AND USE BRISTOL-MYERS SQUIBB COMPANY 2014-08-14 — — US disclosed
US-20140134193-A1 SPLICEOSTATIN ANALOGS AND METHODS FOR THEIR PREPARATION PFIZER INC. (US) 2014-05-15 — — US disclosed
WO-2014068443-A1 SPLICEOSTATIN ANALOGS PFIZER INC. (US) 2014-05-08 — — WO disclosed
US-20130005581-A1 STRUCTURAL NUCLEIC ACID GUIDED CHEMICAL SYNTHESIS VIPERGEN APS (DK) 2013-01-03 — — US disclosed
US-8202823-B2 Structural nucleic acid guided chemical synthesis VIPERGEN APS (DK) 2012-06-19 — — US disclosed
US-8129505-B2 Formed by catalytic polymerization; antibody conjugates UCB PHARMA S.A. (BE) 2012-03-06 — — US disclosed
US-20110045990-A1 STRUCTURAL NUCLEIC ACID GUIDED CHEMICAL SYNTHESIS Vipergen Parmaceiticals APS (DK) 2011-02-24 — — US disclosed
EP-1809743-B1 STRUCTURAL NUCLEID ACID GUIDED CHEMICAL SYNTHESIS VIPERGEN APS (DK) 2008-12-31 — — EP disclosed
EP-1809743-A1 STRUCTURAL NUCLEID ACID GUIDED CHEMICAL SYNTHESIS Vipergen APS (DK) 2007-07-25 — — EP disclosed
WO-2006048025-A1 STRUCTURAL NUCLEIC ACID GUIDED CHEMICAL SYNTHESIS VIPERGEN APS (DK) 2006-05-11 — — 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 (7 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-20110045990-A1 STRUCTURAL NUCLEIC ACID GUIDED CHEMICAL SYNTHESIS RNGTT, POLRMT, NSUN3 KMT2A 3336/4885TLR2 4488/4885TLR1 3929/4885
US-20130005581-A1 STRUCTURAL NUCLEIC ACID GUIDED CHEMICAL SYNTHESIS RNGTT, POLRMT, NSUN3 KMT2A 3358/4885TLR2 4483/4885TLR1 3930/4885
US-20140227295-A1 TUBULYSIN COMPOUNDS, METHODS OF MAKING AND USE CCNB1, CCNB3, CCNB2 KMT2A 1192/4885TLR2 4321/4885TLR1 4046/4885
US-20140134193-A1 SPLICEOSTATIN ANALOGS AND METHODS FOR THEIR PREPARATION SF3B5, SNRPA1, SF3B1 KMT2A 1507/4885TLR2 4067/4885TLR1 3545/4885
US-20230277682-A1 VERRUCARIN A DERIVATIVES AND ANTIBODY DRUG CONJUGATES THEREOF HAVCR2, VARS1, VIM KMT2A 694/4885TLR2 1051/4885TLR1 1290/4885
US-20170260232-A1 TUBULYSIN COMPOUNDS, METHODS OF MAKING AND USE CCNB1, CCNB3, CCNB2 KMT2A 1157/4885TLR2 4385/4885TLR1 4113/4885
US-20170233436-A1 BENZODIAZEPINE DIMERS, CONJUGATES THEREOF, AND METHODS OF MAKING AND USING GABRA1, GABRA3, GABRA2 KMT2A 874/4885TLR2 3406/4885TLR1 3263/4885

“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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