SCHEMBL4136944

SCHEMBL4136944

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 2/20 0.42
PDK2 Q15119 2/20 0.42
PDK3 Q15120 2/20 0.42
PDK4 Q16654 2/20 0.42
CNR2 P34972 1/20 0.39
GCGR P47871 1/20 0.39
PTGFR P43088 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
TAS1R2 Q8TE23 1/20 0.35
PYGL P06737 1/20 0.35
SLC22A12 Q96S37 2/20 0.34
TMPRSS4 Q9NRS4 1/20 0.34
SCN10A Q9Y5Y9 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
IDH1 O75874 1/20 0.33
TP53 P04637 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 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) PDK1PDK2PDK3PDK4CNR2
SCHEMBL4149540 0.90 GCGR (0.39) PDK1PDK2PDK3PDK4CNR2
SCHEMBL4146506 0.89 GCGR (0.39) PDK1PDK2PDK3PDK4GCGR
SCHEMBL3170148 0.89 PTGFR (0.39) PDK1PDK2PDK3PDK4CNR2
SCHEMBL4140219 0.88 GCGR (0.38) PDK1PDK2PDK3PDK4CNR2
SCHEMBL4148816 0.88 GCGR (0.38) PDK1PDK2PDK3PDK4CNR2
SCHEMBL4146334 0.87 CNR2 (0.38) PDK1PDK2PDK3PDK4CNR2
SCHEMBL4147079 0.87 KMT2A (0.39) PDK1PDK2PDK3PDK4CNR2
SCHEMBL13436115 0.87 GCGR (0.38) PDK1PDK2PDK3PDK4CNR2
SCHEMBL4138666 0.86 GCGR (0.39) PDK1PDK2PDK3PDK4CNR2

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 15 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-10912746-B2 Methods and compositions for treating conditions associated with an abnormal inflammatory response FIRST WAVE BIO, INC. (US) 2021-02-09 US disclosed
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-20200197340-A1 METHODS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH AN ABNORMAL INFLAMMATORY RESPONSES FIRST WAVE BIO, INC. 2020-06-25 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-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
US-20090062396-A1 Novel Haloalkoxy-Substituted Salicylic Anilides NOVO NORDISK A/S (DK) 2009-03-05 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-20190298670-A1 METHODS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH AN ABNORMAL INFLAMMATORY RESPONSES FH, CS, ECHS1 PDK1 1135/4885PDK2 1116/4885PDK3 1048/4885
US-20090062396-A1 Novel Haloalkoxy-Substituted Salicylic Anilides FABP4, HDHD5, HSPD1 PDK1 1672/4885PDK2 2691/4885PDK3 2065/4885
US-20200197340-A1 METHODS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH AN ABNORMAL INFLAMMATORY RESPONSES FH, CS, ECHS1 PDK1 1128/4885PDK2 1106/4885PDK3 1045/4885
US-10799468-B2 Methods and compositions for treating conditions associated with an abnormal inflammatory responses FH, CS, ECHS1 PDK1 1135/4885PDK2 1116/4885PDK3 1048/4885
US-10912746-B2 Methods and compositions for treating conditions associated with an abnormal inflammatory response FH, CS, ECHS1 PDK1 1149/4885PDK2 1091/4885PDK3 1033/4885
US-20200147013-A1 METHODS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH AN ABNORMAL INFLAMMATORY RESPONSES FH, CS, ECHS1 PDK1 1135/4885PDK2 1116/4885PDK3 1048/4885
US-20200276140-A1 METHODS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH AN ABNORMAL INFLAMMATORY RESPONSES FH, CS, ECHS1 PDK1 1135/4885PDK2 1116/4885PDK3 1048/4885
US-10772854-B2 Methods and compositions for treating conditions associated with an abnormal inflammatory response FH, CS, ECHS1 PDK1 1159/4885PDK2 1106/4885PDK3 1042/4885

“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.