SCHEMBL9962277

SCHEMBL9962277

CC(C)c1ccccc1S(=O)(=O)N1CCCCC1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.68
CYP3A4 P08684 1/20 0.68
CYP2C9 P11712 1/20 0.68
CYP2C19 P33261 1/20 0.68
ALDH1A1 P00352 6/20 0.58
MCOLN3 Q8TDD5 4/20 0.58
HPGD P15428 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.54
HTT P42858 1/20 0.52
LMNA P02545 1/20 0.52
CNR2 P34972 1/20 0.50
USP2 O75604 1/20 0.47
ATM Q13315 1/20 0.47
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL24498674 1.00 TSHR (0.68) TSHRCYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL14456672 0.98 TSHR (0.65) TSHRCYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL21566685 0.84 ACHE (0.57) TSHRCYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL19171078 0.84 ALDH1A1 (0.50) TSHRCYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL12779602 0.83 SMN1; SMN2 (0.54) TSHRCYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL21566613 0.80 ALDH1A1 (0.50) TSHRCYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL9900047 0.78 TSHR (0.59) TSHRCYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL5668217 0.78 TSHR (0.69) TSHRCYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL8514786 0.77 TSHR (0.75) TSHRCYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL15844498 0.76 TSHR (0.62) TSHRCYP3A4CYP2C9CYP2C19ALDH1A1

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-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

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 TSHR 2915/4885CYP3A4 4106/4885CYP2C9 3787/4885
US-20160376281-A1 BRUTON'S TYROSINE KINASE INHIBITORS BTK, ABL1, SYK TSHR 3612/4885CYP3A4 4327/4885CYP2C9 3575/4885
US-20140309212-A1 BRUTON'S TYROSINE KINASE INHIBITORS BTK, ABL1, SYK TSHR 3612/4885CYP3A4 4327/4885CYP2C9 3575/4885
US-20120157443-A1 BRUTON'S TYROSINE KINASE INHIBITORS BTK, ABL1, SYK TSHR 3612/4885CYP3A4 4327/4885CYP2C9 3575/4885
US-20180065974-A1 BRUTON'S TYROSINE KINASE INHIBITORS BTK, ABL1, SYK TSHR 3612/4885CYP3A4 4327/4885CYP2C9 3575/4885

“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.