SCHEMBL6289554

SCHEMBL6289554

CC(C)(C)c1ccc(NCc2ccc(C(=O)NC[C@@H](O)C(=O)O)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.63
CA2 P00918 1/20 0.63
EPHX2 P34913 13/20 0.56
NR1H4 Q96RI1 12/20 0.56
RAB9A P51151 2/20 0.54
LMNA P02545 1/20 0.54
GCGR P47871 2/20 0.54
GIPR P48546 1/20 0.54
HDAC3 O15379 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C19 P33261 1/20 0.52
NPC1 O15118 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL6289561 1.00 CA1 (0.63) CA1CA2EPHX2NR1H4RAB9A
SCHEMBL8461643 0.80 CA1 (0.74) CA1CA2EPHX2NR1H4RAB9A
SCHEMBL2653593 0.80 NR1H4 (0.64) CA1CA2EPHX2NR1H4RAB9A
SCHEMBL27578769 0.78 NR1H4 (0.62) CA1CA2EPHX2NR1H4RAB9A
SCHEMBL2643145 0.78 CA1 (1.00) CA1CA2EPHX2NR1H4RAB9A
SCHEMBL12326089 0.76 PLK1 (0.54) EPHX2RAB9ALMNAGCGRGIPR
SCHEMBL2658279 0.76 CA1 (0.67) CA1CA2EPHX2NR1H4RAB9A
SCHEMBL17308777 0.76 CA1 (0.80) CA1CA2EPHX2NR1H4RAB9A
SCHEMBL5184746 0.75 CA1 (0.70) CA1CA2EPHX2NR1H4RAB9A
SCHEMBL29129862 0.74 NR1H4 (0.67) CA1CA2EPHX2NR1H4RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6953812-B2 Glucagon antagonists/inverse agonists NOVO NORDISK, INC. (DK) 2005-10-11 US disclosed
US-20040024045-A1 Glucagon antagonists/inverse agonists PFIZER INC 2004-02-05 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
US-20020143186-A1 Glucagon antagonists/inverse agonists PFIZER INC 2002-10-03 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 (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-20040024045-A1 Glucagon antagonists/inverse agonists GLP1R, GPR119, GCGR CA1 4725/4885CA2 3711/4885EPHX2 3116/4885
US-20020143186-A1 Glucagon antagonists/inverse agonists GLP1R, GPR119, GCGR CA1 4725/4885CA2 3711/4885EPHX2 3116/4885

“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.