SCHEMBL17493440

SCHEMBL17493440

CN=S(=O)(NC)c1ccc(Br)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 3/20 0.44
▸ MMP2 P08253 2/20 0.44
▸ CA1 P00915 1/20 0.44
▸ MMP1 P03956 1/20 0.44
▸ MMP9 P14780 1/20 0.44
▸ MMP8 P22894 1/20 0.44
▸ MMP13 P45452 1/20 0.44
▸ F2 P00734 3/20 0.42
▸ PRSS1 P07477 3/20 0.42
▸ PRSS2 P07478 3/20 0.42
▸ PRSS3 P35030 3/20 0.42
▸ PLCG1 P19174 1/20 0.42
▸ IDO1 P14902 1/20 0.40
▸ CA12 O43570 2/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ CA14 Q9ULX7 1/20 0.39
▸ GAA P10253 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ SIGMAR1 Q99720 1/20 0.38

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
SCHEMBL620156 0.74 SMN1; SMN2 (0.64) CA2MMP2CA1MMP1MMP9
SCHEMBL11511980 0.72 SMN1; SMN2 (0.61) CA2MMP2CA1MMP1MMP9
SCHEMBL15576009 0.72 CA2 (0.48) CA2MMP2CA1MMP1MMP9
SCHEMBL7301352 0.70 F2 (0.55) CA2MMP2CA1MMP1MMP9
SCHEMBL6609278 0.69 SMN1; SMN2 (0.57) CA2MMP2CA1MMP1MMP9
SCHEMBL17548189 0.69 PLCG1 (0.48) CA2MMP2CA1MMP1MMP9
SCHEMBL17548190 0.68 CA2 (0.43) CA2MMP2CA1MMP1MMP9
SCHEMBL17493468 0.68 CA2 (0.43) CA2MMP2CA1MMP1MMP9
SCHEMBL15600196 0.67 CA2 (0.42) CA2MMP2CA1MMP1MMP9
SCHEMBL17548367 0.67 PLCG1 (0.45) CA2MMP2CA1MMP1MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3421467-A1 5-PHENYLAZAINDOLE DERIVATIVE HAVING AMPK ACTIVATING EFFECT Shionogi & Co., Ltd (JP) 2019-01-02 — — EP disclosed
EP-3180338-B1 AZABENZIMIDAZOLE DERIVATIVES AS AMP PROTEIN KINASE AGONISTES BOEHRINGER INGELHEIM INT (DE) 2018-05-09 — — EP disclosed
EP-3180338-A1 AZABENZIMIDAZOLE DERIVATIVES AS AMP PROTEIN KINASE AGONISTES Boehringer Ingelheim International GmbH (DE) 2017-06-21 — — EP disclosed
US-9422312-B2 Azabenzimidazole derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-08-23 — — US disclosed
US-9422312-B2 Azabenzimidazole derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-08-23 — — US disclosed
WO-2016023789-A1 AZABENZIMIDAZOLE DERIVATIVES AS AMP PROTEIN KINASE AGONISTES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-02-18 — — WO disclosed
WO-2016023789-A1 AZABENZIMIDAZOLE DERIVATIVES AS AMP PROTEIN KINASE AGONISTES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-02-18 — — WO disclosed
US-20160039846-A1 AZABENZIMIDAZOLE DERIVATIVES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-02-11 — — US 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 (1 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-20160039846-A1 AZABENZIMIDAZOLE DERIVATIVES PRKAB1, PRKAB2, PRKAG1 CA2 2650/4885MMP2 3978/4885CA1 4833/4885

“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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