SCHEMBL2646997

SCHEMBL2646997

CS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
PDE2A O00408 1/20 0.42
PDE5A O76074 1/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42
NFKB1 P19838 1/20 0.42
APEX1 P27695 1/20 0.42
PDE4A P27815 1/20 0.42
BLM P54132 1/20 0.42
PDE1B Q01064 1/20 0.42
PMP22 Q01453 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4D Q08499 1/20 0.42
PDE7A Q13946 1/20 0.42
PDE1C Q14123 1/20 0.42
PDE7B Q9NP56 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL23833770 0.85 AKR1C3 (0.41) ALDH1A1PDE2APDE5ACYP3A4ALOX15
SCHEMBL2434154 0.81 SMN1; SMN2 (0.62) ALDH1A1PDE2APDE5ACYP3A4ALOX15
SCHEMBL9367150 0.79 AKR1C3 (0.50) ALDH1A1TDP1AKR1C3AKR1C2SMN1; SMN2
SCHEMBL9203312 0.78 ALDH1A1 (0.55) ALDH1A1CYP3A4TDP1AKR1C3AKR1C2
SCHEMBL25754876 0.78 TBXA2R (0.50) TDP1SMN1; SMN2TBXA2RHSD11B1L3MBTL1
SCHEMBL29435937 0.77 HTT (0.58) ALDH1A1CYP3A4BLMTDP1AKR1C3
SCHEMBL8430948 0.77 HTT (0.58) ALDH1A1CYP3A4BLMTDP1AKR1C3
SCHEMBL3550146 0.77 HTT (0.58) ALDH1A1CYP3A4BLMTDP1AKR1C3
SCHEMBL10916019 0.76 CYP1A2 (0.52) ALDH1A1PDE7ATDP1AKR1C3AKR1C2
SCHEMBL30062398 0.76 HSPB1 (0.56) ALDH1A1TDP1AKR1C3AKR1C2SMN1; SMN2

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-20090143592-A1 Glucagon Antagonists/Inverse Agonists NOVO NORDISK A/S (DK) 2009-06-04 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
EP-1296942-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS Novo Nordisk A/S (DK) 2003-04-02 EP 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-2002000612-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2002-01-03 WO 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 (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-20050203108-A1 Glucagon antagonists/inverse agonists GLP1R, GPR119, GCGR ALDH1A1 3968/4885PDE2A 404/4885PDE5A 680/4885
US-20090143592-A1 Glucagon Antagonists/Inverse Agonists GLP1R, GPR119, GCGR ALDH1A1 3968/4885PDE2A 404/4885PDE5A 680/4885
US-20040024045-A1 Glucagon antagonists/inverse agonists GLP1R, GPR119, GCGR ALDH1A1 4046/4885PDE2A 478/4885PDE5A 785/4885
US-20030220350-A1 Glucagon antagonists/inverse agonists GLP1R, GPR119, GCGR ALDH1A1 3968/4885PDE2A 404/4885PDE5A 680/4885
US-20020143186-A1 Glucagon antagonists/inverse agonists GLP1R, GPR119, GCGR ALDH1A1 4046/4885PDE2A 478/4885PDE5A 785/4885

“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.