SCHEMBL4087544

SCHEMBL4087544

COc1ccc(CN(Cc2cccc(Oc3cccc(C(F)(F)F)c3)c2)Cc2ccc(C(=O)NCCC(=O)O)s2)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
TDP1 Q9NUW8 1/20 0.44
NAMPT P43490 4/20 0.42
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PPARG P37231 3/20 0.40
PPARD Q03181 3/20 0.40
PPARA Q07869 3/20 0.40
SCD O00767 3/20 0.40
NR2F2 P24468 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 1/20 0.39
OPRK1 P41145 1/20 0.38
MEN1 O00255 1/20 0.38
MAPK14 Q16539 1/20 0.38

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
SCHEMBL4085713 0.87 MAPK14 (0.49) KDM4ETDP1LMNASMN1; SMN2PPARG
SCHEMBL2662250 0.79 NAMPT (0.48) KDM4ETDP1NAMPTLMNASMN1; SMN2
SCHEMBL4091423 0.71 ACKR3 (0.52) SMN1; SMN2RAB9A
SCHEMBL4096606 0.69 GCGR (0.45)
SCHEMBL2663028 0.68 NPC1 (0.49) LMNASMN1; SMN2RAB9AKMT2A
SCHEMBL28063257 0.65 MAPT (0.64) KDM4ETDP1LMNASMN1; SMN2RAB9A
SCHEMBL2662994 0.65 GCGR (0.42)
SCHEMBL6498720 0.65 BCHE (0.59) LMNASMN1; SMN2KMT2A
SCHEMBL2662005 0.65 GAA (0.54) LMNASMN1; SMN2RAB9AKMT2AGAA
SCHEMBL875489 0.64 AR (0.53) KDM4ETDP1LMNASMN1; SMN2KMT2A

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 8 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
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 KDM4E 3664/4885TDP1 3350/4885NAMPT 1813/4885
US-20090143592-A1 Glucagon Antagonists/Inverse Agonists GLP1R, GPR119, GCGR KDM4E 3664/4885TDP1 3350/4885NAMPT 1813/4885
US-20030220350-A1 Glucagon antagonists/inverse agonists GLP1R, GPR119, GCGR KDM4E 3664/4885TDP1 3350/4885NAMPT 1813/4885

“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.