SCHEMBL17548190

SCHEMBL17548190

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

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 3/20 0.43
▸ PLCG1 P19174 1/20 0.42
▸ F2 P00734 3/20 0.40
▸ PRSS1 P07477 3/20 0.40
▸ PRSS2 P07478 3/20 0.40
▸ PRSS3 P35030 3/20 0.40
▸ MMP2 P08253 8/20 0.39
▸ MMP1 P03956 6/20 0.39
▸ MMP9 P14780 6/20 0.39
▸ MMP13 P45452 6/20 0.39
▸ CA12 O43570 2/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ MMP8 P22894 1/20 0.39
▸ MMP3 P08254 5/20 0.39
▸ MMP7 P09237 5/20 0.39
▸ CA14 Q9ULX7 1/20 0.39
▸ MMP14 P50281 1/20 0.37
▸ IDO1 P14902 1/20 0.36

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
SCHEMBL18402598 0.79 KDM4E (0.43) CA2MMP2MMP1MMP9MMP13
SCHEMBL25042604 0.76 ENPP2 (0.53) CA2CA1CA14
SCHEMBL18085631 0.75 ALDH1A1 (0.42) F2PRSS1PRSS2PRSS3
SCHEMBL152957 0.74 MMP2 (0.53) CA2PLCG1F2PRSS1PRSS2
SCHEMBL15576009 0.72 CA2 (0.48) CA2PLCG1F2PRSS1PRSS2
SCHEMBL16124948 0.71 CA2 (0.46) CA2PLCG1F2PRSS1PRSS2
SCHEMBL7301352 0.70 F2 (0.55) CA2PLCG1F2PRSS1PRSS2
SCHEMBL17548189 0.69 PLCG1 (0.48) CA2PLCG1F2PRSS1PRSS2
SCHEMBL24899760 0.69 SMN1; SMN2 (0.35) —
SCHEMBL17493468 0.68 CA2 (0.43) CA2PLCG1F2PRSS1PRSS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023016525-A1 COMPOUND AS ATR KINASE INHIBITOR 苏州爱科百发生物医药技术有限公司 2023-02-16 — — WO disclosed
US-9980948-B2 Azaindole derivative having AMPK-activating activity SHIONOGI & CO., LTD. (JP) 2018-05-29 — — US disclosed
US-9980948-B2 Azaindole derivative having AMPK-activating activity SHIONOGI & CO., LTD. (JP) 2018-05-29 — — US disclosed
US-20170273955-A1 AZAINDOLE DERIVATIVE HAVING AMPK-ACTIVATING ACTIVITY SHIONOGI & CO., LTD. (JP) 2017-09-28 — — US disclosed
US-20170273955-A1 AZAINDOLE DERIVATIVE HAVING AMPK-ACTIVATING ACTIVITY SHIONOGI & CO., LTD. (JP) 2017-09-28 — — US disclosed
WO-2016031842-A1 AZAINDOLE DERIVATIVE HAVING AMPK-ACTIVATING EFFECT 塩野義製薬株式会社 2016-03-03 — — 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 (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-20170273955-A1 AZAINDOLE DERIVATIVE HAVING AMPK-ACTIVATING ACTIVITY PRKAA1, PRKAA2, PRKAG1 CA2 1894/4885PLCG1 2015/4885F2 4769/4885

“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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