SCHEMBL4096072

SCHEMBL4096072

Cc1ccc(S(C)(=O)=O)cc1N=C=O

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.58
TRPA1 O75762 1/20 0.58
LMNA P02545 4/20 0.47
ALDH1A1 P00352 4/20 0.47
PTGS2 P35354 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
G6PD P11413 1/20 0.36
IDE P14735 1/20 0.36
ENPP2 Q13822 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL739692 0.87 CYP3A4 (0.59) CYP3A4TRPA1LMNAALDH1A1SMN1; SMN2
SCHEMBL11278919 0.84 CYP3A4 (0.56) CYP3A4TRPA1LMNAALDH1A1TDP1
SCHEMBL5653049 0.83 CYP3A4 (0.54) CYP3A4TRPA1LMNAALDH1A1TDP1
SCHEMBL2658282 0.81 PTGS2 (0.40) CYP3A4TRPA1PTGS2
SCHEMBL13556579 0.80 CYP3A4 (0.51) CYP3A4TRPA1LMNAALDH1A1TDP1
SCHEMBL27903840 0.79 PTGS2 (0.40) LMNAALDH1A1PTGS2SMN1; SMN2TDP1
SCHEMBL13104445 0.79 IDH1 (0.50) CYP3A4TRPA1PTGS2
SCHEMBL1190278 0.77 LMNA (0.44) CYP3A4TRPA1LMNAALDH1A1PTGS2
SCHEMBL30163034 0.76 CA12 (0.53) CYP3A4TRPA1LMNAALDH1A1SMN1; SMN2
SCHEMBL10869858 0.75 CYP3A4 (0.68) CYP3A4TRPA1LMNAALDH1A1TDP1

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 6 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-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-20030220350-A1 Glucagon antagonists/inverse agonists PFIZER INC 2003-11-27 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 3353/4885LMNA 3643/4885
US-20090143592-A1 Glucagon Antagonists/Inverse Agonists GLP1R, GPR119, GCGR CYP3A4 3264/4885TRPA1 3353/4885LMNA 3643/4885
US-20030220350-A1 Glucagon antagonists/inverse agonists GLP1R, GPR119, GCGR CYP3A4 3264/4885TRPA1 3353/4885LMNA 3643/4885

“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.