SCHEMBL5454957

SCHEMBL5454957

O=C(COC(=O)c1ccc(CO)cc1)c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.69
NPC1 O15118 9/20 0.69
HPGD P15428 2/20 0.69
L3MBTL1 Q9Y468 2/20 0.64
ESR1 P03372 1/20 0.60
ESR2 Q92731 1/20 0.60
MAPT P10636 4/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
ALOX5 P09917 1/20 0.57
ALDH1A1 P00352 4/20 0.53
GAA P10253 2/20 0.53
KDM4E B2RXH2 1/20 0.53
LMNA P02545 2/20 0.53
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
KMT2A Q03164 2/20 0.52
RXFP1 Q9HBX9 1/20 0.52
MEN1 O00255 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52

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
SCHEMBL83331 0.88 RAB9A (0.79) RAB9ANPC1HPGDL3MBTL1ESR1
SCHEMBL29043248 0.86 RAB9A (0.77) RAB9ANPC1HPGDL3MBTL1ESR1
SCHEMBL11686421 0.85 RAB9A (0.67) RAB9ANPC1HPGDL3MBTL1ESR1
SCHEMBL6777691 0.85 RAB9A (0.71) RAB9ANPC1HPGDL3MBTL1ESR1
SCHEMBL14453807 0.83 ESR2 (0.73) RAB9ANPC1L3MBTL1ESR2MAPT
SCHEMBL16398364 0.81 RAB9A (1.00) RAB9ANPC1HPGDL3MBTL1ESR1
SCHEMBL27832225 0.81 RAB9A (0.71) RAB9ANPC1HPGDL3MBTL1ESR1
SCHEMBL11273679 0.81 RAB9A (1.00) RAB9ANPC1HPGDL3MBTL1ESR1
SCHEMBL22319774 0.81 RAB9A (0.71) RAB9ANPC1HPGDL3MBTL1ESR1
SCHEMBL16398834 0.81 RAB9A (0.71) RAB9ANPC1HPGDL3MBTL1ESR1

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-20070037807-A1 Pyridine compounds as inhibitors of dipeptidyl peptidase IV TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-15 US disclosed
CN-1886376-A Pyridine compounds as dipeptidyl dipeptidase-IV inhibitors TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2006-12-27 CN disclosed
EP-1678138-A1 PYRIDINE COMPOUNDS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE IV Takeda Pharmaceutical Company Limited (JP) 2006-07-12 EP disclosed
WO-2005042488-A1 PYRIDINE COMPOUNDS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE IV TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-05-12 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-20070037807-A1 Pyridine compounds as inhibitors of dipeptidyl peptidase IV DPP4, DPP3, PEPD RAB9A 4731/4885NPC1 2548/4885HPGD 550/4885

“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.