SCHEMBL4149540

SCHEMBL4149540

Cc1c(C#N)cc(C(C)(C)C)c(O)c1C(=O)Nc1ccc(C#N)cc1OC(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GCGR P47871 1/20 0.39
PDK1 Q15118 2/20 0.36
PDK2 Q15119 2/20 0.36
PDK3 Q15120 2/20 0.36
PDK4 Q16654 2/20 0.36
PTGFR P43088 1/20 0.36
AR P10275 4/20 0.35
TMPRSS4 Q9NRS4 1/20 0.34
CNR2 P34972 1/20 0.34
GPR6 P46095 2/20 0.33
BACE2 Q9Y5Z0 1/20 0.33
XDH P47989 1/20 0.33
SLC22A12 Q96S37 1/20 0.33
DHODH Q02127 1/20 0.33
CACNA1G O43497 1/20 0.33
CACNA1H O95180 1/20 0.33
CYP3A4 P08684 1/20 0.33
CACNA1C Q13936 1/20 0.33
CACNA1I Q9P0X4 1/20 0.33

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
SCHEMBL4150028 0.90 GCGR (0.39) GCGRPDK1PDK2PDK3PDK4
SCHEMBL3170148 0.90 PTGFR (0.39) GCGRPDK1PDK2PDK3PDK4
SCHEMBL4146506 0.90 GCGR (0.39) GCGRPDK1PDK2PDK3PDK4
SCHEMBL4136944 0.90 PDK1 (0.42) GCGRPDK1PDK2PDK3PDK4
SCHEMBL4148816 0.89 GCGR (0.38) GCGRPDK1PDK2PDK3PDK4
SCHEMBL4140219 0.89 GCGR (0.38) GCGRPDK1PDK2PDK3PDK4
SCHEMBL13436115 0.88 GCGR (0.38) GCGRPDK1PDK2PDK3PDK4
SCHEMBL4146334 0.88 CNR2 (0.38) GCGRPDK1PDK2PDK3PDK4
SCHEMBL4147079 0.88 KMT2A (0.39) GCGRPDK1PDK2PDK3PDK4
SCHEMBL4138666 0.87 GCGR (0.39) GCGRPDK1PDK2PDK3PDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090062396-A1 Novel Haloalkoxy-Substituted Salicylic Anilides NOVO NORDISK A/S (DK) 2009-03-05 US claimed
EP-1888508-A2 NOVEL HALOALKOXY-SUBSTITUTED SALICYLIC ANILIDES NOVO NORDISK A/S (DK) 2008-02-20 EP claimed
WO-2006125781-A2 HALOALKOXY-SUBSTITUTED SALICYLIC ANILIDES NOVO NORDISK A/S (DK) 2006-11-30 WO claimed
US-10799468-B2 Methods and compositions for treating conditions associated with an abnormal inflammatory responses FIRST WAVE BIO, INC. (US) 2020-10-13 US disclosed
US-10772854-B2 Methods and compositions for treating conditions associated with an abnormal inflammatory response FIRST WAVE BIO, INC. (US) 2020-09-15 US disclosed
US-20200276140-A1 METHODS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH AN ABNORMAL INFLAMMATORY RESPONSES FIRST WAVE BIO, INC. 2020-09-03 US disclosed
US-10744103-B2 Methods and compositions for treating conditions associated with an abnormal inflammatory responses FIRST WAVE BIO, INC. (US) 2020-08-18 US disclosed
US-20200147013-A1 METHODS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH AN ABNORMAL INFLAMMATORY RESPONSES FIRST WAVE BIO, INC. 2020-05-14 US disclosed
US-20200147012-A1 METHODS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH AN ABNORMAL INFLAMMATORY RESPONSES FIRST WAVE BIO, INC. 2020-05-14 US disclosed
US-20190298670-A1 METHODS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH AN ABNORMAL INFLAMMATORY RESPONSES MONTERESEARCH S.R.L. (IT) 2019-10-03 US disclosed
US-20090062396-A1 Novel Haloalkoxy-Substituted Salicylic Anilides NOVO NORDISK A/S (DK) 2009-03-05 US disclosed
EP-1888508-A2 NOVEL HALOALKOXY-SUBSTITUTED SALICYLIC ANILIDES NOVO NORDISK A/S (DK) 2008-02-20 EP disclosed
WO-2006125781-A2 HALOALKOXY-SUBSTITUTED SALICYLIC ANILIDES NOVO NORDISK A/S (DK) 2006-11-30 WO 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 (8 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-20200147012-A1 METHODS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH AN ABNORMAL INFLAMMATORY RESPONSES FH, CS, ECHS1 GCGR 1865/4885PDK1 1128/4885PDK2 1106/4885
US-10744103-B2 Methods and compositions for treating conditions associated with an abnormal inflammatory responses FH, CS, ECHS1 GCGR 1865/4885PDK1 1128/4885PDK2 1106/4885
US-20190298670-A1 METHODS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH AN ABNORMAL INFLAMMATORY RESPONSES FH, CS, ECHS1 GCGR 1824/4885PDK1 1135/4885PDK2 1116/4885
US-20090062396-A1 Novel Haloalkoxy-Substituted Salicylic Anilides FABP4, HDHD5, HSPD1 GCGR 1042/4885PDK1 1672/4885PDK2 2691/4885
US-10799468-B2 Methods and compositions for treating conditions associated with an abnormal inflammatory responses FH, CS, ECHS1 GCGR 1824/4885PDK1 1135/4885PDK2 1116/4885
US-20200147013-A1 METHODS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH AN ABNORMAL INFLAMMATORY RESPONSES FH, CS, ECHS1 GCGR 1824/4885PDK1 1135/4885PDK2 1116/4885
US-20200276140-A1 METHODS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH AN ABNORMAL INFLAMMATORY RESPONSES FH, CS, ECHS1 GCGR 1824/4885PDK1 1135/4885PDK2 1116/4885
US-10772854-B2 Methods and compositions for treating conditions associated with an abnormal inflammatory response FH, CS, ECHS1 GCGR 1721/4885PDK1 1159/4885PDK2 1106/4885

“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.