SCHEMBL9962274

SCHEMBL9962274

CC(C)c1ccccc1S(=O)(=O)C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
COMT P21964 1/20 0.38
CNR1 P21554 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HSD11B1 P28845 1/20 0.38
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37
CNR2 P34972 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA3 P07451 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA13 Q8N1Q1 1/20 0.36
CA14 Q9ULX7 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
Hydrochloric Acid SCHEMBL4630730 0.80 ALDH1A1 (0.36) ALDH1A1LMNAALOX5APFEN1CA12
SCHEMBL1912023 0.77 EPHX2 (0.44) COMTL3MBTL1ALDH1A1LOXLOXL2
SCHEMBL8224781 0.75 HTR2A (0.36) CNR1L3MBTL1ALDH1A1LMNAALOX5AP
SCHEMBL17306777 0.75 RBP4 (0.54) COMTL3MBTL1HSD11B1ALDH1A1LMNA
SCHEMBL1439944 0.74 GAA (0.50) COMTLMNAALOX5APFEN1CA12
SCHEMBL16502908 0.73 HTR6 (0.49) ALDH1A1
SCHEMBL18419021 0.72 RBP4 (0.55) COMTL3MBTL1HSD11B1ALDH1A1LMNA
SCHEMBL4478031 0.72 MEN1 (0.38) L3MBTL1ALDH1A1CA12CA1CA2
SCHEMBL9379437 0.72 HSD11B1 (0.54) L3MBTL1HSD11B1LMNACA12CA1
SCHEMBL2521493 0.72 GAA (0.52) COMTL3MBTL1ALDH1A1LMNAALOX5AP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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 COMT 3582/4885CNR1 3943/4885L3MBTL1 1032/4885
US-20160376281-A1 BRUTON'S TYROSINE KINASE INHIBITORS BTK, ABL1, SYK COMT 3492/4885CNR1 4280/4885L3MBTL1 1330/4885
US-20140309212-A1 BRUTON'S TYROSINE KINASE INHIBITORS BTK, ABL1, SYK COMT 3492/4885CNR1 4280/4885L3MBTL1 1330/4885
US-20120157443-A1 BRUTON'S TYROSINE KINASE INHIBITORS BTK, ABL1, SYK COMT 3492/4885CNR1 4280/4885L3MBTL1 1330/4885
US-20180065974-A1 BRUTON'S TYROSINE KINASE INHIBITORS BTK, ABL1, SYK COMT 3492/4885CNR1 4280/4885L3MBTL1 1330/4885

“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.