SCHEMBL13800570

SCHEMBL13800570

[2H]NC(=O)N(C)Cc1ccc(C(=O)NCCC(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 2/20 0.50
▸ CA2 P00918 2/20 0.50
▸ TMEM97 Q5BJF2 9/20 0.46
▸ SIGMAR1 Q99720 9/20 0.46
▸ HSP90AA1 P07900 4/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ HDAC1 Q13547 1/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.45
▸ GCGR P47871 2/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP3A5 P20815 1/20 0.44
▸ CYP3A7 P24462 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ CYP3A43 Q9HB55 1/20 0.44
▸ MCHR1 Q99705 1/20 0.43
▸ GIPR P48546 1/20 0.43
▸ ACKR3 P25106 1/20 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
SCHEMBL13799956 0.81 MCHR1 (0.51) CA1CA2TMEM97SIGMAR1MAPK1
SCHEMBL13800527 0.80 ALDH1A1 (0.47) HSP90AA1HDAC1HDAC6
SCHEMBL2663436 0.80 SIGMAR1 (0.55) CA1CA2TMEM97SIGMAR1MAPK1
SCHEMBL2663435 0.78 CA1 (0.52) CA1CA2TMEM97SIGMAR1MAPK1
SCHEMBL13800502 0.77 CA1 (0.45) CA1CA2TMEM97SIGMAR1MAPK1
SCHEMBL9717434 0.76 MAPK1 (0.71) CA1CA2MAPK1HDAC6CYP1A2
SCHEMBL3195210 0.76 L3MBTL1 (0.61) CA1CA2TMEM97SIGMAR1MAPK1
SCHEMBL2650797 0.75 CA1 (0.62) CA1CA2MAPK1HDAC6CYP1A2
SCHEMBL3199550 0.75 GCGR (0.58) CA1CA2MAPK1GCGR
SCHEMBL9072937 0.73 CA1 (0.52) CA1CA2MAPK1HDAC1HDAC6

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 1 patent. 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

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

For each of this compound's patents that has machine-readable text (1 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-20090143592-A1 Glucagon Antagonists/Inverse Agonists GLP1R, GPR119, GCGR CA1 4464/4885CA2 3233/4885TMEM97 2238/4885

“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.

Send feedback