SCHEMBL2649697

SCHEMBL2649697

NC(=S)N(Cc1ccc(C(=O)O)cc1)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 4/20 0.54
GCGR P47871 3/20 0.46
GIPR P48546 2/20 0.46
GLP1R P43220 1/20 0.46
TRPM8 Q7Z2W7 9/20 0.46
PTGES O14684 1/20 0.45
ALOX5 P09917 1/20 0.45
FAAH O00519 1/20 0.44
EPHX2 P34913 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.43
PDK1 Q15118 1/20 0.42

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
SCHEMBL2647861 0.79 MEN1 (0.49) PTGESALOX5
SCHEMBL4096992 0.75 GCGR (0.78) GCGRGIPRGLP1RPTGESALOX5
SCHEMBL219654 0.75 EPHX2 (0.68) FAAHEPHX2MRGPRX4
SCHEMBL2648427 0.75 PDK2 (0.46) GCGRGIPRPDK1
SCHEMBL1239730 0.74 SERPINE1 (0.90) SERPINE1GCGRGIPRGLP1RPTGES
SCHEMBL4082151 0.74 GCGR (0.69) GCGRGIPRGLP1R
SCHEMBL3974584 0.73 MAPT (0.41) SERPINE1
Hydrochloric Acid SCHEMBL8086285 0.73 EPHX2 (0.66) FAAHEPHX2MRGPRX4
SCHEMBL22721344 0.72 MRGPRX4 (0.70) MRGPRX4
SCHEMBL1241400 0.72 SERPINE1 (0.93) SERPINE1GCGRGIPRGLP1RPTGES

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050256175-A1 Novel glucagon antagonists/inverse agonists LAU JESPER 2005-11-17 US disclosed
US-6881746-B2 Glucagon antagonists/inverse agonists NOVO NORDICK A/S (DK) 2005-04-19 US disclosed
EP-1519723-A1 NOVEL GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2005-04-06 EP disclosed
US-20040014789-A1 Novel glucagon antagonists/inverse agonists NOVO NORDISK A/S (DK) 2004-01-22 US disclosed
WO-2004002480-A1 NOVEL GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2004-01-08 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 (2 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-20040014789-A1 Novel glucagon antagonists/inverse agonists GLP1R, GCGR, GIPR SERPINE1 578/4885GCGR 2/4885GIPR 3/4885
US-20050256175-A1 Novel glucagon antagonists/inverse agonists GLP1R, GCGR, GIPR SERPINE1 578/4885GCGR 2/4885GIPR 3/4885

“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.