SCHEMBL6217868

SCHEMBL6217868

COc1cc(C(=O)O)c(NC(=O)OC(C)(C)C)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
PABPC1 P11940 2/20 0.40
USP2 O75604 1/20 0.40
ATR Q13535 1/20 0.40
NNMT P40261 1/20 0.38
KDM4E B2RXH2 4/20 0.38
ASPH Q12797 2/20 0.38
KDM8 Q8N371 2/20 0.38
RIOX2 Q8IUF8 1/20 0.38
SORT1 Q99523 1/20 0.37
BRD9 Q9H8M2 1/20 0.37
AAK1 Q2M2I8 1/20 0.36
DHODH Q02127 3/20 0.36
RXFP1 Q9HBX9 1/20 0.36
METAP1 P53582 1/20 0.36
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
SIRT6 Q8N6T7 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL29589580 1.00 KMT2A (0.40) KMT2AMEN1PABPC1USP2ATR
SCHEMBL20770870 0.89 ATR (0.48) KMT2AMEN1PABPC1ATRNNMT
SCHEMBL29764732 0.89 ATR (0.40) KMT2AMEN1PABPC1ATRNNMT
SCHEMBL14905500 0.89 ATR (0.40) KMT2AMEN1PABPC1ATRNNMT
SCHEMBL29713519 0.83 NNMT (0.47) KMT2AMEN1PABPC1ATRNNMT
SCHEMBL535674 0.83 ATR (0.44) ATRKDM4EBRD9AAK1RXFP1
SCHEMBL7681674 0.83 NNMT (0.47) KMT2AMEN1PABPC1ATRNNMT
SCHEMBL29870494 0.83 ATR (0.44) ATRKDM4EBRD9AAK1RXFP1
SCHEMBL20095986 0.82 MEN1 (0.38) KMT2AMEN1PABPC1ATRNNMT
SCHEMBL6644306 0.82 BRD9 (0.40) ATRBRD9AAK1DHODHRXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230183239-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ABBVIE INC (US) 2023-06-15 US disclosed
US-20230183239-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ABBVIE INC (US) 2023-06-15 US disclosed
US-20220135598-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE-1 (ENPP1) INHIBITORS AND USES THEREOF INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) 2022-05-05 US disclosed
WO-2022091048-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE-1 (ENPP1) INHIBITORS AND USES THEREOF INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) 2022-05-05 WO disclosed
US-20200291024-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ABBVIE INC (US) 2020-09-17 US disclosed
US-20200291024-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ABBVIE INC (US) 2020-09-17 US disclosed
EP-3676254-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF AbbVie Inc. (US) 2020-07-08 EP disclosed
CN-111315723-A Extramembranous nucleotide pyrophosphatase-phosphodiesterase 1(ENPP-1) inhibitor and application thereof 艾伯维公司 2020-06-19 CN disclosed
WO-2019046778-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF MAVUPHARMA, INC. (US) 2019-03-07 WO disclosed
WO-2019046778-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF MAVUPHARMA, INC. (US) 2019-03-07 WO disclosed
US-20050245548-A1 Alkynylated fused ring pyrimidine compounds GAUDILLIERE BERNARD 2005-11-03 US disclosed
EP-1361873-A4 MATRIX METALLOPROTEINASE INHIBITORS WARNER LAMBERT CO (US) 2005-10-26 EP disclosed
US-20050004126-A1 Method of determining potential allosterically-binding matrix metalloproteinase inhibitors ANDRIANJARA CHARLES (FR) 2005-01-06 US disclosed
EP-1465878-A1 ALKYNYLATED FUSED RING PYRIMIDINE COMPOUNDS AS MATRIX METALLOPROTEASE-13 INHIBITORS Warner-Lambert Company LLC (US) 2004-10-13 EP disclosed
EP-1361873-A2 MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2003-11-19 EP disclosed
US-20030130278-A1 Alkynylated fused ring pyrimidine compounds GAUDILLIERE BERNARD (FR) 2003-07-10 US disclosed
WO-2003033477-A1 ALKYNLATED FUSED RING PYRIMIDINE COMPOUNDS AS MATRIX METALLOPROTEASE-13 INHIBITOR WARNER-LAMBERT COMPANY LLC (US) 2003-04-24 WO disclosed
WO-2003033478-A1 ALKYNYLATED FUSED RING PYRIMIDINE COMPOUNDS AS MATRIX METALLOPROTEASE-13 INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2003-04-24 WO disclosed
US-20030078276-A1 Matrix metalloproteinase inhibitors ANDRIANJARA CHARLES (FR) 2003-04-24 US disclosed
WO-2002064080-A2 MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LCC (US) 2002-08-22 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-20050004126-A1 Method of determining potential allosterically-binding matrix metalloproteinase inhibitors MMP13, MMP12, MMP25 KMT2A 2962/4885MEN1 1184/4885PABPC1 4851/4885
US-20030078276-A1 Matrix metalloproteinase inhibitors MMP13, MMP25, MMP12 KMT2A 2963/4885MEN1 1011/4885PABPC1 4852/4885
US-20200291024-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ENPP1, ENPP3, STING1 KMT2A 3342/4885MEN1 3315/4885PABPC1 511/4885
US-20220135598-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE-1 (ENPP1) INHIBITORS AND USES THEREOF ENPP1, ENPP3, ENPP2 KMT2A 3970/4885MEN1 2462/4885PABPC1 1935/4885
US-20030130278-A1 Alkynylated fused ring pyrimidine compounds MMP13, TIMP3, MMP3 KMT2A 2914/4885MEN1 3179/4885PABPC1 4639/4885
US-20050245548-A1 Alkynylated fused ring pyrimidine compounds MMP13, TIMP3, MMP3 KMT2A 3147/4885MEN1 2822/4885PABPC1 4839/4885
US-20230183239-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ENPP1, ENPP3, STING1 KMT2A 3342/4885MEN1 3315/4885PABPC1 511/4885

“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.