SCHEMBL2651707

SCHEMBL2651707

CS(=O)(=O)c1cc(N=C=O)ccc1OC(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.38
TRPA1 O75762 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
GSTO1 P78417 1/20 0.35
PDE2A O00408 1/20 0.34
SLC22A12 Q96S37 3/20 0.33
EGLN1 Q9GZT9 1/20 0.32
SLC1A5 Q15758 1/20 0.32
ALPL P05186 3/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
TSHR P16473 1/20 0.32
SLC6A2 P23975 1/20 0.32
PTGS2 P35354 1/20 0.32
KCNH2 Q12809 1/20 0.31
TMEM97 Q5BJF2 1/20 0.31
SIGMAR1 Q99720 1/20 0.31

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
SCHEMBL9859075 0.88 CYP3A4 (0.38) CYP3A4TRPA1SMN1; SMN2MAPK1TDP1
SCHEMBL9859232 0.80 CYP3A4 (0.49) CYP3A4TRPA1MAPK1TDP1PDE2A
SCHEMBL10918491 0.78 TDP1 (0.41) CYP3A4TRPA1MAPK1TDP1SLC1A5
SCHEMBL17130393 0.78 EPHX2 (0.46) CYP3A4TRPA1MAPK1TDP1PDE2A
SCHEMBL3977319 0.77 MAPK1 (0.40) CYP3A4TRPA1MAPK1TDP1PDE2A
SCHEMBL1555311 0.77 MAPK1 (0.56) CYP3A4TRPA1MAPK1TDP1SLC1A5
SCHEMBL2646886 0.75 L3MBTL1 (0.47) SMN1; SMN2GSTO1PDE2ASLC22A12EGLN1
SCHEMBL29873844 0.75 SLC22A12 (0.38) CYP3A4TRPA1MAPK1TDP1SLC22A12
SCHEMBL21239459 0.75 SLC22A12 (0.38) CYP3A4TRPA1MAPK1TDP1SLC22A12
SCHEMBL1555247 0.74 MAPK1 (0.56) CYP3A4TRPA1MAPK1TDP1SLC22A12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050282811-A1 Diazabicyclic histamine-3 receptor antagonists PFIZER INC 2005-12-22 US claimed
US-20090143592-A1 Glucagon Antagonists/Inverse Agonists NOVO NORDISK A/S (DK) 2009-06-04 US disclosed
US-20050282811-A1 Diazabicyclic histamine-3 receptor antagonists PFIZER INC 2005-12-22 US disclosed
EP-1183229-B1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK AS (DK) 2005-10-26 EP disclosed
US-6953812-B2 Glucagon antagonists/inverse agonists NOVO NORDISK, INC. (DK) 2005-10-11 US disclosed
US-20050203108-A1 Glucagon antagonists/inverse agonists PFIZER INC 2005-09-15 US disclosed
US-6875760-B2 Glucagon antagonists/inverse agonists NOVO NORDISK A/S (DK) 2005-04-05 US disclosed
US-20040024045-A1 Glucagon antagonists/inverse agonists PFIZER INC 2004-02-05 US disclosed
US-20030220350-A1 Glucagon antagonists/inverse agonists PFIZER INC 2003-11-27 US disclosed
US-6562807-B2 For prophylaxis and therapy of hyperglycemia, Type 1 diabetes, Type 2 diabetes, disorders of the lipid metabolism, such as dyslipidemia, and obesity NOVO NORDISK A/S (DK) 2003-05-13 US disclosed
US-6503949-B1 Treating Type 2 diabetes, hyperglycemia, impaired glucose tolerance or obesity NORO NORDISK A/S (DK) 2003-01-07 US disclosed
US-20020143186-A1 Glucagon antagonists/inverse agonists PFIZER INC 2002-10-03 US disclosed
EP-1183229-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2002-03-06 EP disclosed
WO-2000069810-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2000-11-23 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 (6 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-20050203108-A1 Glucagon antagonists/inverse agonists GLP1R, GPR119, GCGR CYP3A4 3264/4885TRPA1 3353/4885SMN1; SMN2 3528/4885
US-20090143592-A1 Glucagon Antagonists/Inverse Agonists GLP1R, GPR119, GCGR CYP3A4 3264/4885TRPA1 3353/4885SMN1; SMN2 3528/4885
US-20040024045-A1 Glucagon antagonists/inverse agonists GLP1R, GPR119, GCGR CYP3A4 2800/4885TRPA1 3802/4885SMN1; SMN2 3973/4885
US-20030220350-A1 Glucagon antagonists/inverse agonists GLP1R, GPR119, GCGR CYP3A4 3264/4885TRPA1 3353/4885SMN1; SMN2 3528/4885
US-20050282811-A1 Diazabicyclic histamine-3 receptor antagonists HRH3, HRH4, HRH2 CYP3A4 1729/4885TRPA1 486/4885SMN1; SMN2 1409/4885
US-20020143186-A1 Glucagon antagonists/inverse agonists GLP1R, GPR119, GCGR CYP3A4 2800/4885TRPA1 3802/4885SMN1; SMN2 3973/4885

“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.