SCHEMBL16489174

SCHEMBL16489174

COC(=O)[C@H](Cc1ccc(N)cn1)NC(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 2/20 0.47
GSTP1 P09211 1/20 0.40
GSTM2 P28161 1/20 0.40
HDAC6 Q9UBN7 4/20 0.39
HDAC1 Q13547 2/20 0.39
CTSS P25774 3/20 0.39
CTSK P43235 2/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
TACR1 P25103 2/20 0.38
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
PSEN1 P49768 2/20 0.38
PSEN2 P49810 2/20 0.38
APH1B Q8WW43 2/20 0.38
NCSTN Q92542 2/20 0.38
APH1A Q96BI3 2/20 0.38
PSENEN Q9NZ42 2/20 0.38
ACE P12821 1/20 0.38
ITGA4 P13612 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
SCHEMBL5146346 0.91 CYP1A2 (0.46) KLK5CTSSCTSKCTSLCTSB
SCHEMBL2985149 0.89 ITGB3 (0.48) CTSSCTSKCTSLCTSBITGB3
SCHEMBL27589044 0.89 ITGB3 (0.48) CTSSCTSKCTSLCTSBITGB3
SCHEMBL16645014 0.87 KLK5 (0.45) KLK5GSTP1GSTM2HDAC6HDAC1
SCHEMBL8232460 0.87 KLK5 (0.45) KLK5GSTP1GSTM2HDAC6HDAC1
SCHEMBL4074909 0.87 CTSS (0.46) KLK5GSTP1GSTM2HDAC6HDAC1
SCHEMBL6560965 0.87 CTSS (0.46) KLK5GSTP1GSTM2HDAC6HDAC1
SCHEMBL16644979 0.86 KLK5 (0.45) KLK5CTSSCTSKCTSLCTSB
SCHEMBL23963236 0.86 PPARG (0.44) KLK5GSTP1GSTM2HDAC6HDAC1
SCHEMBL2000791 0.86 SIRT2 (0.48) KLK5GSTP1GSTM2HDAC6HDAC1

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
US-20170027956-A1 HETEROCYCLIC TYROSINE KINASE INHIBITORS BIOGEN IDEC MA INC. 2017-02-02 US disclosed
US-20170027956-A1 HETEROCYCLIC TYROSINE KINASE INHIBITORS BIOGEN IDEC MA INC. 2017-02-02 US disclosed
US-9533985-B2 Sulfonamide derivative and medicinal use thereof EA PHARMA CO., LTD. (JP) 2017-01-03 US disclosed
US-9273028-B2 Heterocyclic tyrosine kinase inhibitors BIOGEN MA INC. (US) 2016-03-01 US disclosed
US-9273028-B2 Heterocyclic tyrosine kinase inhibitors BIOGEN MA INC. (US) 2016-03-01 US disclosed
US-20150051395-A1 SULFONAMIDE DERIVATIVE AND MEDICINAL USE THEREOF AJINOMOTO CO., LTD. (JP) 2015-02-19 US disclosed
US-20150051395-A1 SULFONAMIDE DERIVATIVE AND MEDICINAL USE THEREOF AJINOMOTO CO., LTD. (JP) 2015-02-19 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 (2 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-20150051395-A1 SULFONAMIDE DERIVATIVE AND MEDICINAL USE THEREOF ITGB4, ITGA4, ITGA2 KLK5 3064/4885GSTP1 3168/4885GSTM2 1884/4885
US-20170027956-A1 HETEROCYCLIC TYROSINE KINASE INHIBITORS TEC, ABL1, LCK KLK5 1126/4885GSTP1 1835/4885GSTM2 1534/4885

“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.