SCHEMBL2645901

SCHEMBL2645901

O=C(O)CC(O)NC(=O)c1ccc(C(=O)C(CC(=O)c2ccc(-c3ccccc3)cc2)c2ccc(C3CCCCC3)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 1/20 0.43
HAO1 Q9UJM8 1/20 0.42
FFAR1 O14842 2/20 0.40
BCL2L1 Q07817 2/20 0.39
MCL1 Q07820 2/20 0.39
CYP3A4 P08684 1/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
PGR P06401 2/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRM1 Q13255 1/20 0.38
CCR1 P32246 1/20 0.38
HPGDS O60760 1/20 0.37
UTS2R Q9UKP6 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
SCHEMBL6916491 0.88 HAO1 (0.41) APAF1HAO1FFAR1BCL2L1MCL1
SCHEMBL2660182 0.85 GCGR (0.45) APAF1HAO1
SCHEMBL2647568 0.85 GCGR (0.45) APAF1HAO1
SCHEMBL2645898 0.84 GCGR (0.46) APAF1HAO1BCL2L1MCL1HDAC1
SCHEMBL2645893 0.84 GCGR (0.46) APAF1HAO1BCL2L1MCL1HDAC1
SCHEMBL11521088 0.80 APAF1 (0.53) APAF1HAO1BCL2L1MCL1HDAC1
SCHEMBL2653731 0.79 HAO1 (0.46) APAF1HAO1BCL2L1MCL1HDAC1
SCHEMBL6915276 0.79 IGF2BP2 (0.45) CYP3A4HPGDS
SCHEMBL2647236 0.77 APAF1 (0.36) APAF1HAO1BCL2L1MCL1HDAC1
SCHEMBL2647801 0.76 GCGR (0.46) APAF1HAO1CTSS

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
EP-1463715-A1 NOVEL GLUCAGON ANTAGONISTS NOVO NORDISK A/S (DK) 2004-10-06 EP disclosed
US-6762318-B2 CARBOXYLIC ACID OR TETRAZOLE DERIVATIZED SECONDARY AMIDES; ORAL ADMINISTRATION NOVO NORDISK A/S (DK) 2004-07-13 US disclosed
US-20030236292-A1 Stimulant releasing glucose from liver cells; antidiabetic agents PFIZER INC 2003-12-25 US disclosed
WO-2003048109-A1 NOVEL GLUCAGON ANTAGONISTS NOVO NORDISK A/S (DK) 2003-06-12 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 (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-20030236292-A1 Stimulant releasing glucose from liver cells; antidiabetic agents GPR119, GLP1R, GIPR APAF1 1486/4885HAO1 3082/4885FFAR1 111/4885

“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.