SCHEMBL10182014

SCHEMBL10182014

Cc1ccc(S(=O)(=O)n2cc(B3OC(C)(C)C(C)(C)O3)c3ccccc32)cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.56
▸ UBE2N P61088 1/20 0.56
▸ L3MBTL1 Q9Y468 2/20 0.55
▸ HTR6 P50406 8/20 0.52
▸ CYP19A1 P11511 2/20 0.48
▸ ALOX5 P09917 3/20 0.47
▸ ALK Q9UM73 1/20 0.47
▸ KLK7 P49862 2/20 0.46
▸ PTGS2 P35354 1/20 0.45
▸ CA2 P00918 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ ALDH3A1 P30838 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ NOD1 Q9Y239 1/20 0.43

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
SCHEMBL29414046 1.00 KDM4E (0.56) KDM4EUBE2NL3MBTL1HTR6CYP19A1
SCHEMBL3528138 0.91 HTR6 (0.52) L3MBTL1HTR6CA2CA9
SCHEMBL29543831 0.91 HTR6 (0.52) L3MBTL1HTR6CA2CA9
SCHEMBL1890130 0.88 KDM4E (0.44) KDM4EUBE2NL3MBTL1HTR6CYP19A1
SCHEMBL1888127 0.88 KDM4E (0.41) KDM4EUBE2NL3MBTL1HTR6CYP19A1
SCHEMBL1892254 0.84 HTR6 (0.39) KDM4EUBE2NL3MBTL1HTR6KLK7
SCHEMBL1307215 0.84 HTR6 (0.43) KDM4EUBE2NL3MBTL1HTR6KLK7
SCHEMBL12011377 0.84 HTR6 (0.43) KDM4EUBE2NL3MBTL1HTR6KLK7
SCHEMBL30461630 0.84 HTR6 (0.44) KDM4EUBE2NL3MBTL1HTR6CYP19A1
SCHEMBL12449994 0.84 HTR6 (0.44) KDM4EUBE2NL3MBTL1HTR6CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114133394-B Compound selectively aiming at activity of cell cycle dependent kinase 12, preparation method and medical application 赛诺哈勃药业(成都)有限公司 2023-12-08 — — CN disclosed
CN-114133394-A Compound selectively aiming at activity of cell cycle dependent kinase 12, preparation method and medical application 赛诺哈勃药业(成都)有限公司 2022-03-04 — — CN disclosed
US-8461170-B2 Chemical compounds ASTRAZENECA AB (SE) 2013-06-11 — — US disclosed
US-8461170-B2 Chemical compounds ASTRAZENECA AB (SE) 2013-06-11 — — US disclosed
WO-2012017239-A2 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2012-02-09 — — WO disclosed
US-20120028924-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2012-02-02 — — US disclosed
US-20120028924-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2012-02-02 — — 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-20120028924-A1 CHEMICAL COMPOUNDS ALK, BRAF, ABL1 KDM4E 547/4885UBE2N 3450/4885L3MBTL1 4627/4885

“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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