SCHEMBL2434154

SCHEMBL2434154

COc1ccc([N+](=O)[O-])cc1S(C)(=O)=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.62
TDP1 Q9NUW8 1/20 0.58
HTT P42858 2/20 0.56
LMNA P02545 3/20 0.51
ALDH1A1 P00352 5/20 0.51
POLB P06746 2/20 0.51
HPGD P15428 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
PTGS2 P35354 2/20 0.49
CYP19A1 P11511 1/20 0.49
PKM P14618 1/20 0.47
PDE2A O00408 1/20 0.46
PDE5A O76074 1/20 0.46
CYP3A4 P08684 1/20 0.46
ALOX15 P16050 1/20 0.46
NFKB1 P19838 1/20 0.46
APEX1 P27695 1/20 0.46
PDE4A P27815 1/20 0.46
BLM P54132 1/20 0.46
PDE1B Q01064 1/20 0.46

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
SCHEMBL1098646 0.87 HTT (0.60) SMN1; SMN2TDP1HTTLMNAALDH1A1
SCHEMBL29800437 0.85 TDP1 (0.57) SMN1; SMN2TDP1HTTLMNAALDH1A1
SCHEMBL3071086 0.85 TDP1 (0.57) SMN1; SMN2TDP1HTTLMNAALDH1A1
SCHEMBL11240386 0.85 TDP1 (0.57) SMN1; SMN2TDP1HTTLMNAALDH1A1
SCHEMBL5188245 0.85 TDP1 (0.61) SMN1; SMN2TDP1HTTLMNAALDH1A1
SCHEMBL23833731 0.85 TDP1 (0.57) SMN1; SMN2TDP1HTTLMNAALDH1A1
SCHEMBL14451779 0.85 SMN1; SMN2 (0.53) SMN1; SMN2TDP1HTTLMNAALDH1A1
SCHEMBL29451712 0.83 ALDH1A1 (0.66) SMN1; SMN2TDP1HTTLMNAALDH1A1
SCHEMBL2646997 0.81 ALDH1A1 (0.42) SMN1; SMN2TDP1HTTALDH1A1L3MBTL1
SCHEMBL11322982 0.81 TDP1 (0.53) SMN1; SMN2TDP1HTTLMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11142524-B2 Substituted-3H-imidazo[4,5-c]pyridine and 1H-pyrrolo[2,3-c]pyridine series of novel Ectonucleotide Pyrophosphatase/Phosphodiesterase-1 (ENPP1) and stimulator for interferon genes (STING) modulators as cancer immunotherapeutics Stingray Therapeutics, Inc. (US) 2021-10-12 US disclosed
US-11142524-B2 Substituted-3H-imidazo[4,5-c]pyridine and 1H-pyrrolo[2,3-c]pyridine series of novel Ectonucleotide Pyrophosphatase/Phosphodiesterase-1 (ENPP1) and stimulator for interferon genes (STING) modulators as cancer immunotherapeutics Stingray Therapeutics, Inc. (US) 2021-10-12 US disclosed
CN-112996496-A substituted-3H-imidazo [4,5-c ] pyridines and 1H-pyrrolo [2,3-c ] pyridines as novel ectonucleotide pyrophosphatase/phosphodiesterase-1 (ENPP1) and interferon gene Stimulator (STING) modulators for cancer immunotherapy 斯汀格瑞治疗股份有限公司 2021-06-18 CN disclosed
EP-3829561-A1 SUBSTITUTED-3H-IMIDAZO[4,5-C]PYRIDINE AND 1H PYRROLO[2,3-C]PYRIDINE SERIES OF NOVEL ECTONUCLEOTIDE PYROPHOSPHATASE/PHOSPHODIESTERASE-1 (ENPP1) AND STIMULATOR FOR INTERFERON GENES (STING) MODULATORS AS CANCER IMMUNOTHERAPEUTICS Stingray Therapeutics, Inc. (US) 2021-06-09 EP disclosed
US-20200039979-A1 Substituted-3H-imidazo[4,5-c]pyridine and 1H-pyrrolo[2,3-c]pyridine series of novel Ectonucleotide Pyrophosphatase/Phosphodiesterase-1 (ENPP1) and Stimulator for Interferon Genes (STING) modulators as cancer immunotherapeutics Stingray Therapeutics, Inc. 2020-02-06 US disclosed
US-20200039979-A1 Substituted-3H-imidazo[4,5-c]pyridine and 1H-pyrrolo[2,3-c]pyridine series of novel Ectonucleotide Pyrophosphatase/Phosphodiesterase-1 (ENPP1) and Stimulator for Interferon Genes (STING) modulators as cancer immunotherapeutics Stingray Therapeutics, Inc. 2020-02-06 US disclosed
WO-2020028724-A1 SUBSTITUTED-3H-IMIDAZO[4,5-C]PYRIDINE AND 1H-PYRROLO[2,3-C]PYRIDINE SERIES OF NOVEL ECTONUCLEOTIDE PYROPHOSPHATASE/PHOSPHODIESTERASE-1 (ENPP1) AND STIMULATOR FOR INTERFERON GENES (STING) MODULATORS AS CANCER IMMUNOTHERAPEUTICS Stingray Therapeutics, Inc. (US) 2020-02-06 WO disclosed
EP-2552211-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS Glaxo Group Limited (GB) 2013-02-06 EP disclosed
US-20130023532-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2013-01-24 US disclosed
US-20130023532-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2013-01-24 US disclosed
WO-2011120025-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2011-09-29 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 (3 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-20200039979-A1 Substituted-3H-imidazo[4,5-c]pyridine and 1H-pyrrolo[2,3-c]pyridine series of novel Ectonucleotide Pyrophosphatase/Phosphodiesterase-1 (ENPP1) and Stimulator for Interferon Genes (STING) modulators as cancer immunotherapeutics STING1, ENPP1, CGAS SMN1; SMN2 3292/4885TDP1 55/4885HTT 4506/4885
US-20130023532-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS MAP3K19, MAP3K1, MAP3K20 SMN1; SMN2 3957/4885TDP1 606/4885HTT 4634/4885
US-11142524-B2 Substituted-3H-imidazo[4,5-c]pyridine and 1H-pyrrolo[2,3-c]pyridine series of novel Ectonucleotide Pyrophosphatase/Phosphodiesterase-1 (ENPP1) and stimulator for interferon genes (STING) modulators as cancer immunotherapeutics STING1, ENPP1, CGAS SMN1; SMN2 3292/4885TDP1 55/4885HTT 4506/4885

“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.