SCHEMBL16008451

SCHEMBL16008451

Cc1ccc(S(=O)(=O)Nc2ccccc2B2OC(C)(C)C(C)(C)O2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.56
ALDH1A1 P00352 4/20 0.56
CYP2C9 P11712 2/20 0.56
CYP2C19 P33261 2/20 0.56
MAPT P10636 2/20 0.56
USP2 O75604 1/20 0.56
POLB P06746 1/20 0.56
NOD2 Q9HC29 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
KEAP1 Q14145 1/20 0.52
NFE2L2 Q16236 1/20 0.52
CA2 P00918 3/20 0.52
CA9 Q16790 3/20 0.52
CA1 P00915 2/20 0.52
CA4 P22748 1/20 0.52
CA7 P43166 1/20 0.52
CA12 O43570 2/20 0.51
MCOLN3 Q8TDD5 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
TSHR P16473 1/20 0.50

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
SCHEMBL30981884 0.82 APP (0.51) LMNAALDH1A1MAPTKEAP1NFE2L2
SCHEMBL30981835 0.81 LMNA (0.51) LMNAALDH1A1CYP2C9CYP2C19MAPT
SCHEMBL520862 0.80 KEAP1 (0.44) ALDH1A1L3MBTL1KEAP1NFE2L2CA2
SCHEMBL29048737 0.79 LMNA (0.49) LMNAALDH1A1MAPTUSP2L3MBTL1
SCHEMBL4909467 0.78 CA1 (0.65) LMNAALDH1A1MAPTUSP2CA2
SCHEMBL15915826 0.77 PSIP1 (0.49) LMNACA2CA9CA1CA4
SCHEMBL2068526 0.77 LMNA (0.82) LMNAALDH1A1CYP2C9CYP2C19MAPT
SCHEMBL1619904 0.76 CA1 (0.52) LMNAALDH1A1POLBL3MBTL1CA2
SCHEMBL28820629 0.74 CA1 (0.48) LMNAALDH1A1CYP2C9CYP2C19MAPT
SCHEMBL16967649 0.74 LPL (0.43) ALDH1A1MAPTUSP2POLBL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970262-A1 BROMODOMAIN INHIBITORS AbbVie Inc. (US) 2016-01-20 EP disclosed
US-9050346-B2 Bromodomain inhibitors ABBVIE INC. (US) 2015-06-09 US disclosed
WO-2014164771-A1 BROMODOMAIN INHIBITORS ABBVIE INC. (US) 2014-10-09 WO disclosed
US-20140256705-A1 BROMODOMAIN INHIBITORS ABBVIE INC. 2014-09-11 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-20140256705-A1 BROMODOMAIN INHIBITORS BRD4, BRD3, BRD1 LMNA 1668/4885ALDH1A1 1453/4885CYP2C9 3037/4885

“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.