SCHEMBL22118247

SCHEMBL22118247

O=S(=O)(Cl)c1cnc2c(Br)cccc2c1O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 3/20 0.36
▸ MMP13 P45452 3/20 0.36
▸ ADAM17 P78536 3/20 0.36
▸ MMP9 P14780 2/20 0.36
▸ COMT P21964 4/20 0.35
▸ FTO Q9C0B1 1/20 0.35
▸ KMT2A Q03164 3/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ USP2 O75604 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ HSP90AA1 P07900 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CDK2 P24941 1/20 0.33
▸ GRM5 P41594 2/20 0.31
▸ MCL1 Q07820 1/20 0.31
▸ ENPP3 O14638 1/20 0.31
▸ ENPP1 P22413 1/20 0.31

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
SCHEMBL22118238 0.83 ENPP3 (0.40) MMP1MMP13ADAM17MMP9KMT2A
SCHEMBL29934098 0.82 PARP1 (0.40) COMTKMT2AMEN1TDP1SMN1; SMN2
SCHEMBL19692908 0.82 GRM5 (0.46) COMTKDM4ECDK2GRM5
SCHEMBL19692927 0.82 PARP1 (0.40) COMTKMT2AMEN1TDP1SMN1; SMN2
SCHEMBL25205269 0.78 ERN1 (0.35) HTTGRM5
SCHEMBL30351121 0.78 ERN1 (0.35) HTTGRM5
SCHEMBL19692977 0.74 ERN1 (0.51) KDM4ETDP1TP53HSP90AA1SMN1; SMN2
SCHEMBL30200365 0.74 ERN1 (0.51) KDM4ETDP1TP53HSP90AA1SMN1; SMN2
SCHEMBL31716247 0.72 KDM4E (0.39) MMP1MMP13ADAM17MMP9KMT2A
SCHEMBL17128052 0.72 KDM4E (0.39) MMP1MMP13ADAM17MMP9KMT2A

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
EP-3897842-B1 BICYCLIC DERIVATIVES ELANCO TIERGESUNDHEIT AG (CH) 2025-01-29 — — EP disclosed
CN-113490527-B Bicyclic derivatives 瑞士伊兰科动物保健有限公司 2024-10-25 — — CN disclosed
US-20220064159-A1 BICYCLIC DERIVATIVES ELANCO TIERGESUNDHEIT AG (CH) 2022-03-03 — — US disclosed
EP-3897842-A1 BICYCLIC DERIVATIVES Elanco Tiergesundheit AG (CH) 2021-10-27 — — EP disclosed
CN-113490527-A Bicyclic derivatives 瑞士伊兰科动物保健有限公司 2021-10-08 — — CN disclosed
WO-2020131631-A1 BICYCLIC DERIVATIVES ELANCO TIERGESUNDHEIT AG (CH) 2020-06-25 — — 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-20220064159-A1 BICYCLIC DERIVATIVES FABP3, CYCS, PIGS MMP1 1751/4885MMP13 2779/4885ADAM17 1461/4885

“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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