SCHEMBL9962271

SCHEMBL9962271

CC(C)c1ccccc1S(=O)(=O)N(C)C

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.51
▸ POLB P06746 3/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ HTT P42858 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ HSD11B1 P28845 1/20 0.42
▸ MCL1 Q07820 1/20 0.41
▸ ALOX5AP P20292 1/20 0.40
▸ FEN1 P39748 1/20 0.40
▸ CCR6 P51684 1/20 0.39
▸ GABRA1 P14867 1/20 0.39
▸ GABRB2 P47870 1/20 0.39
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ LMNA P02545 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
SCHEMBL3925077 0.84 POLB (0.43) ALDH1A1POLBSMN1; SMN2L3MBTL1HSD11B1
SCHEMBL31344705 0.82 HSD11B1 (0.44) ALDH1A1POLBL3MBTL1HSD11B1GABRA1
SCHEMBL12779601 0.82 GABRA1 (0.53) ALDH1A1POLBSMN1; SMN2HTTMCL1
SCHEMBL799370 0.82 POLB (0.42) ALDH1A1POLBSMN1; SMN2HTTL3MBTL1
SCHEMBL21566643 0.79 POLB (0.41) POLBL3MBTL1HSD11B1
SCHEMBL9379437 0.79 HSD11B1 (0.54) POLBSMN1; SMN2L3MBTL1HSD11B1GABRA1
SCHEMBL1106525 0.77 L3MBTL1 (0.52) POLBL3MBTL1HSD11B1GABRA1GABRB2
SCHEMBL1415493 0.75 L3MBTL1 (0.46) ALDH1A1POLBSMN1; SMN2L3MBTL1HSD11B1
SCHEMBL22927502 0.75 HSD11B1 (0.47) POLBSMN1; SMN2L3MBTL1HSD11B1GABRA1
SCHEMBL29617 0.75 HSD11B1 (0.47) ALDH1A1POLBSMN1; SMN2L3MBTL1HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10577374-B2 Bruton's tyrosine kinase inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2020-03-03 — — US disclosed
US-20180065974-A1 BRUTON'S TYROSINE KINASE INHIBITORS OXFORD FINANCE LLC, AS COLLATERAL AGENT 2018-03-08 — — US disclosed
US-20180065974-A1 BRUTON'S TYROSINE KINASE INHIBITORS OXFORD FINANCE LLC, AS COLLATERAL AGENT 2018-03-08 — — US disclosed
US-9790229-B2 Bruton's tyrosine kinase inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2017-10-17 — — US disclosed
US-9604930-B2 Tetrahydro- and dihydro-isoquinoline PRMT5 inhibitors and uses thereof Epizyme, Inc. (US) 2017-03-28 — — US disclosed
US-20160376281-A1 BRUTON'S TYROSINE KINASE INHIBITORS OXFORD FINANCE LLC, AS COLLATERAL AGENT 2016-12-29 — — US disclosed
US-9249146-B2 Bruton'S tyrosine kinase inhibitors BIOGEN MA INC. (US) 2016-02-02 — — US disclosed
US-9206142-B2 Anilinopiperazine derivatives and methods of use thereof MERCK SHARP & DOHME CORP. (US) 2015-12-08 — — US disclosed
US-9029359-B2 Heteroaryl Btk inhibitors BIOGEN IDEC MA, INC. (US) 2015-05-12 — — US disclosed
US-20140309212-A1 BRUTON'S TYROSINE KINASE INHIBITORS OXFORD FINANCE LLC, AS COLLATERAL AGENT 2014-10-16 — — US disclosed
US-8785440-B2 Bruton's tyrosine kinase inhibitors BIOGEN IDEC MA, INC. (US) 2014-07-22 — — US disclosed
US-20120328691-A1 ANILINOPIPERAZINE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME LLC 2012-12-27 — — US disclosed
US-20120157443-A1 BRUTON'S TYROSINE KINASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. (US) 2012-06-21 — — US disclosed
US-20120157442-A1 HETEROARYL BTK INHIBITORS SUNESIS PHARMACEUTICALS, INC. (US) 2012-06-21 — — US disclosed
US-20120157443-A1 BRUTON'S TYROSINE KINASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. (US) 2012-06-21 — — US disclosed
WO-2011029043-A1 HETEROARYL BTK INHIBITORS BIOGEN IDEC MA INC. (US) 2011-03-10 — — WO disclosed
WO-2011029046-A1 BRUTON'S TYROSINE KINASE INHIBITORS BIOGEN IDEC MA INC. (US) 2011-03-10 — — WO disclosed
US-7417040-B2 Fused tricyclic compounds as inhibitors of 17β-hydroxysteroid dehydrogenase 3 BRISTOL-MYERS SQUIBB COMPANY (US) 2008-08-26 — — US disclosed
US-7378426-B2 Fused heterotricyclic compounds as inhibitors of 17β-hydroxysteroid dehydrogenase 3 BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-27 — — 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 (7 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-20120157442-A1 HETEROARYL BTK INHIBITORS BTK, LYN, SYK ALDH1A1 4759/4885POLB 2653/4885SMN1; SMN2 4798/4885
US-20160376281-A1 BRUTON'S TYROSINE KINASE INHIBITORS BTK, ABL1, SYK ALDH1A1 4783/4885POLB 1897/4885SMN1; SMN2 4292/4885
US-20140309212-A1 BRUTON'S TYROSINE KINASE INHIBITORS BTK, ABL1, SYK ALDH1A1 4783/4885POLB 1897/4885SMN1; SMN2 4292/4885
US-20120328691-A1 ANILINOPIPERAZINE DERIVATIVES AND METHODS OF USE THEREOF MAPK15, CDK15, MAPKAPK5 ALDH1A1 3548/4885POLB 2161/4885SMN1; SMN2 3649/4885
US-20120157443-A1 BRUTON'S TYROSINE KINASE INHIBITORS BTK, ABL1, SYK ALDH1A1 4783/4885POLB 1897/4885SMN1; SMN2 4292/4885
US-10577374-B2 Bruton's tyrosine kinase inhibitors BTK, ABL1, SYK ALDH1A1 4783/4885POLB 1897/4885SMN1; SMN2 4292/4885
US-20180065974-A1 BRUTON'S TYROSINE KINASE INHIBITORS BTK, ABL1, SYK ALDH1A1 4783/4885POLB 1897/4885SMN1; SMN2 4292/4885

“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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