SCHEMBL2778161

SCHEMBL2778161

Nc1ccc(Nc2cc(S(=O)(=O)O)c(N)c3c2C(=O)c2ccccc2C3=O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNG2 P59768 5/20 1.00
GNB1 P62873 5/20 1.00
CYP1A2 P05177 2/20 0.81
CYP2C9 P11712 2/20 0.81
ALOX15 P16050 2/20 0.81
HSD17B10 Q99714 2/20 0.81
PHLPP2 Q6ZVD8 2/20 0.77
P2RY4 P51582 9/20 0.71
MET P08581 3/20 0.71
ALDH1A1 P00352 1/20 0.69
CYP3A4 P08684 1/20 0.69
HPGD P15428 1/20 0.69
MAPK1 P28482 1/20 0.69
CYP2C19 P33261 1/20 0.69
HIF1A Q16665 1/20 0.69
P2RY12 Q9H244 6/20 0.67
P2RY2 P41231 6/20 0.67
P2RY6 Q15077 4/20 0.67
ENTPD1 P49961 2/20 0.67
HGF P14210 2/20 0.66

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
SCHEMBL29354288 1.00 GNG2 (1.00) GNG2GNB1CYP1A2CYP2C9ALOX15
SCHEMBL3029899 0.99 GNG2 (0.97) GNG2GNB1CYP1A2CYP2C9ALOX15
SCHEMBL13021512 0.96 GNG2 (0.92) GNG2GNB1CYP1A2CYP2C9ALOX15
SCHEMBL13891732 0.93 GNG2 (0.86) GNG2GNB1CYP1A2CYP2C9ALOX15
SCHEMBL13213975 0.92 GNG2 (0.86) GNG2GNB1CYP1A2CYP2C9ALOX15
SCHEMBL791019 0.92 GNG2 (0.85) GNG2GNB1CYP1A2CYP2C9ALOX15
SCHEMBL29357302 0.92 GNG2 (0.85) GNG2GNB1CYP1A2CYP2C9ALOX15
SCHEMBL7765342 0.91 GNG2 (0.84) GNG2GNB1CYP1A2CYP2C9ALOX15
SCHEMBL29355106 0.91 GNG2 (0.84) GNG2GNB1CYP1A2CYP2C9ALOX15
SCHEMBL10708708 0.91 GNG2 (0.84) GNG2GNB1CYP1A2CYP2C9ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11858957-B2 Ectonucleotidase inhibitors and methods of use thereof ANTENGENT THERAPEUTICS LIMITED (CN) 2024-01-02 US claimed
US-20230022922-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF ANTENGENE THERAPEUTICS LIMITED (CN) 2023-01-26 US claimed
US-20220363709-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF ANTENGENE THERAPEUTICS LIMITED (CN) 2022-11-17 US claimed
WO-2022086892-A1 INTERLEUKIN 4 (IL4)-INDUCED GENE 1 INHIBITORS AND METHODS OF USE THEREOF CALITHERA BIOSCIENCES, INC. (US) 2022-04-28 WO claimed
EP-3986894-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF Calithera Biosciences, Inc. (US) 2022-04-27 EP claimed
CN-114008048-A Exonucleotidase inhibitors and methods of use thereof 卡利泰拉生物科技公司 2022-02-01 CN claimed
US-11208414-B2 Ectonucleotidase inhibitors and methods of use thereof CALITHERA BIOSCIENCES, INC. (US) 2021-12-28 US claimed
US-11174261-B2 2021-11-16 US claimed
US-11034715-B2 Ectonucleotidase inhibitors and methods of use thereof CALITHERA BIOSCIENCES, INC. (US) 2021-06-15 US claimed
CN-112888696-A Exonucleotidase inhibitors and methods of use thereof 卡利泰拉生物科技公司 2021-06-01 CN claimed
US-20200223882-A1 Ectonucleotidase Inhibitors and Methods of Use Thereof ANTENGENE THERAPEUTICS LIMITED (CN) 2020-07-16 US claimed
US-20200087310-A1 Ectonucleotidase Inhibitors and Methods of Use Thereof ANTENGENE THERAPEUTICS LIMITED (CN) 2020-03-19 US claimed
EP-3558998-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF Calithera Biosciences, Inc. (US) 2019-10-30 EP claimed
EP-3510040-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF Calithera Biosciences, Inc. (US) 2019-07-17 EP claimed
WO-2018119284-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF CALITHERA BIOSCIENCES, INC. (US) 2018-06-28 WO claimed
WO-2018049145-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF CALITHERA BIOSCIENCES, INC. (US) 2018-03-15 WO claimed
US-20100130505-A1 COMPOSITIONS AND METHODS FOR INHIBITING G PROTEIN SIGNALING UNIVERSITY OF ROCHESTER (US) 2010-05-27 US claimed
EP-2147310-A2 COMPOSITIONS AND METHODS FOR INHIBITING G PROTEIN SIGNALING University of Rochester (US) 2010-01-27 EP claimed
WO-2009020677-A9 COMPOSITIONS AND METHODS FOR INHIBITING G PROTEIN SIGNALING UNIV ROCHESTER (US) 2009-04-16 WO claimed
WO-2009020677-A2 COMPOSITIONS AND METHODS FOR INHIBITING G PROTEIN SIGNALING UNIVERSITY OF ROCHESTER (US) 2009-02-12 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 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-20220363709-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF NT5E, ENTPD5, NT5C2 GNG2 1402/4885GNB1 892/4885CYP1A2 1394/4885
US-20230022922-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF NT5E, ENTPD5, NT5C2 GNG2 1402/4885GNB1 892/4885CYP1A2 1394/4885
US-11858957-B2 Ectonucleotidase inhibitors and methods of use thereof NT5E, ENTPD5, NT5C2 GNG2 1402/4885GNB1 892/4885CYP1A2 1394/4885
US-20200223882-A1 Ectonucleotidase Inhibitors and Methods of Use Thereof NT5E, ENTPD5, NT5C2 GNG2 1402/4885GNB1 892/4885CYP1A2 1394/4885
US-11034715-B2 Ectonucleotidase inhibitors and methods of use thereof NT5E, ENTPD5, NT5C2 GNG2 1402/4885GNB1 892/4885CYP1A2 1394/4885
US-11174261-B2 ENTPD5, NT5E, ENTPD1 GNG2 810/4885GNB1 914/4885CYP1A2 1262/4885
US-11208414-B2 Ectonucleotidase inhibitors and methods of use thereof ENTPD5, NT5E, ENTPD1 GNG2 1035/4885GNB1 899/4885CYP1A2 1596/4885
US-20100130505-A1 COMPOSITIONS AND METHODS FOR INHIBITING G PROTEIN SIGNALING GNAI1, GNAI3, GNAI2 GNG2 5/4885GNB1 4/4885CYP1A2 4839/4885
US-20200087310-A1 Ectonucleotidase Inhibitors and Methods of Use Thereof NT5E, ENTPD5, NT5C2 GNG2 1402/4885GNB1 892/4885CYP1A2 1394/4885

“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.