SCHEMBL2647548

SCHEMBL2647548

O=Cc1ccc(C(=O)NC[C@@H](O)C(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.48
NR1H4 Q96RI1 1/20 0.48
ALDH1A1 P00352 3/20 0.47
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
ADRB3 P13945 1/20 0.42
CYP24A1 Q07973 3/20 0.41
GCGR P47871 2/20 0.39
MLYCD O95822 1/20 0.39
GIPR P48546 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HDAC1 Q13547 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37

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
SCHEMBL2647552 1.00 EPHX2 (0.48) EPHX2NR1H4ALDH1A1NPC1RAB9A
SCHEMBL2647793 0.83 ALDH1A1 (0.54) EPHX2NR1H4ALDH1A1NPC1RAB9A
SCHEMBL2647795 0.83 ALDH1A1 (0.54) EPHX2NR1H4ALDH1A1NPC1RAB9A
SCHEMBL13760116 0.83 NPC1 (0.42) ALDH1A1NPC1RAB9ASMN1; SMN2CYP24A1
SCHEMBL7096522 0.81 NPC1 (0.66) EPHX2NPC1RAB9ASMN1; SMN2GAA
Benzene SCHEMBL8722272 0.81 NPC1 (0.66) EPHX2NPC1RAB9ASMN1; SMN2GAA
SCHEMBL1663138 0.81 ALDH1A1 (0.49) EPHX2NR1H4ALDH1A1NPC1RAB9A
SCHEMBL14596376 0.77 EPHX2 (0.51) EPHX2NR1H4ALDH1A1ADRB2ADRB1
SCHEMBL12326089 0.77 PLK1 (0.54) EPHX2ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL12641858 0.77 GAA (0.57) EPHX2NR1H4ALDH1A1GAAHPGD

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-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
EP-1296942-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS Novo Nordisk A/S (DK) 2003-04-02 EP disclosed
US-20020143186-A1 Glucagon antagonists/inverse agonists PFIZER INC 2002-10-03 US disclosed
WO-2002000612-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2002-01-03 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-20040024045-A1 Glucagon antagonists/inverse agonists GLP1R, GPR119, GCGR EPHX2 3116/4885NR1H4 98/4885ALDH1A1 4046/4885
US-20020143186-A1 Glucagon antagonists/inverse agonists GLP1R, GPR119, GCGR EPHX2 3116/4885NR1H4 98/4885ALDH1A1 4046/4885

“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.