SCHEMBL4086848

SCHEMBL4086848

CS(=O)(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.48
HTT P42858 3/20 0.48
GAA P10253 1/20 0.48
TSHR P16473 1/20 0.48
PTGS2 P35354 2/20 0.47
CYP19A1 P11511 1/20 0.46
CA2 P00918 5/20 0.46
CA5A P35218 4/20 0.46
POLB P06746 2/20 0.45
CA1 P00915 4/20 0.44
CA12 O43570 3/20 0.44
CA3 P07451 3/20 0.44
CA4 P22748 3/20 0.44
CA6 P23280 3/20 0.44
CA7 P43166 3/20 0.44
CA9 Q16790 3/20 0.44
CA13 Q8N1Q1 3/20 0.44
CA14 Q9ULX7 3/20 0.44
CA5B Q9Y2D0 3/20 0.44
MEN1 O00255 4/20 0.43

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
SCHEMBL1171984 0.95 CYP19A1 (0.52) KMT2AHTTGAATSHRPTGS2
SCHEMBL14650150 0.88 TSHR (0.63) KMT2AHTTGAATSHRPTGS2
SCHEMBL2311386 0.86 POLB (0.47) KMT2AHTTGAATSHRPTGS2
SCHEMBL309246 0.86 HTT (0.46) KMT2AHTTGAATSHRPTGS2
SCHEMBL1172577 0.86 PTGS2 (0.42) KMT2AHTTGAATSHRPTGS2
SCHEMBL29859047 0.86 ALDH1A1 (0.44) KMT2AHTTGAATSHRPTGS2
SCHEMBL2437802 0.86 CYTH2 (0.46) KMT2AHTTGAATSHRPTGS2
SCHEMBL2880510 0.86 ACP1 (0.43) KMT2AHTTGAATSHRPTGS2
SCHEMBL23113522 0.83 HTT (0.43) KMT2AHTTGAATSHRPTGS2
SCHEMBL12325553 0.83 CA9 (0.41) KMT2AHTTGAATSHRPTGS2

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 7 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
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 KMT2A 3304/4885HTT 1550/4885GAA 484/4885
US-20090143592-A1 Glucagon Antagonists/Inverse Agonists GLP1R, GPR119, GCGR KMT2A 3304/4885HTT 1550/4885GAA 484/4885
US-20030220350-A1 Glucagon antagonists/inverse agonists GLP1R, GPR119, GCGR KMT2A 3304/4885HTT 1550/4885GAA 484/4885

“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.