SCHEMBL1927100

SCHEMBL1927100

O=C(CC(=O)C(F)(F)F)c1cccc(Cl)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 1/20 0.61
FEN1 P39748 1/20 0.61
PLOD2 O00469 3/20 0.54
PLOD3 O60568 2/20 0.54
PLOD1 Q02809 2/20 0.54
PARP1 P09874 1/20 0.49
ALDH1A1 P00352 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.45
SLC6A2 P23975 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
CHRNA1 P02708 1/20 0.44
CHRNG P07510 1/20 0.44
ITGA5 P08648 1/20 0.44
CHRNB1 P11230 1/20 0.44
CHRNB2 P17787 1/20 0.44
CHRNB4 P30926 1/20 0.44
SLC6A4 P31645 1/20 0.44
CHRNA3 P32297 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL29962144 0.84 ERCC5 (0.76) ERCC5FEN1PARP1L3MBTL1NPC1
SCHEMBL11791699 0.84 ERCC5 (0.76) ERCC5FEN1PARP1L3MBTL1NPC1
SCHEMBL4255460 0.81 PLOD2 (0.55) ERCC5FEN1PLOD2PLOD3PLOD1
SCHEMBL30415795 0.81 PLOD2 (0.64) PLOD2PLOD3PLOD1PARP1L3MBTL1
SCHEMBL1924322 0.81 PLOD2 (0.64) PLOD2PLOD3PLOD1PARP1L3MBTL1
SCHEMBL1346272 0.80 CES2 (0.61) PLOD2PLOD3PLOD1ALDH1A1LMNA
SCHEMBL1924595 0.80 PLOD2 (0.54) PLOD2PLOD3PLOD1PARP1NPC1
SCHEMBL4906913 0.80 PLOD2 (0.54) PLOD2PLOD3PLOD1PARP1ALDH1A1
SCHEMBL14982192 0.79 ERCC5 (0.74) ERCC5FEN1PLOD2PLOD3PLOD1
SCHEMBL584065 0.79 PLOD2 (0.70) ERCC5FEN1PLOD2PLOD3PLOD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7998986-B2 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors EXELIXIS PATENT COMPANY LLC (US) 2011-08-16 US disclosed
US-7998986-B2 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors EXELIXIS PATENT COMPANY LLC (US) 2011-08-16 US disclosed
EP-1670801-B1 PYRAZOLO AND IMIDAZO-PYRIMIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-06-08 EP disclosed
US-7514443-B2 Substituted pyrazolo[1,5-a]pyrimidines as inhibitors of metabotropic glutamate receptors HOFFMANN-LA ROCHE INC. (US) 2009-04-07 US disclosed
US-20080051421-A1 Pyrazolo-pyridine WICHMANN JUERGEN 2008-02-28 US disclosed
US-7329662-B2 Pyrazolo-pyridine HOFFMANN-LA ROCHE INC. (US) 2008-02-12 US disclosed
CN-1890242-A Pyrazolo and imidazo-pyrimidine derivatives HOFFMANN LA ROCHE (CH) 2007-01-03 CN disclosed
EP-1670801-A1 PYRAZOLO AND IMIDAZO-PYRIMIDINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2006-06-21 EP disclosed
US-20050130992-A1 Pyrazolo-pyridine F. HOFFMANN-LA ROCHE AG (CH) 2005-06-16 US disclosed
WO-2005040171-A1 PYRAZOLO AND IMIDAZO-PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-05-06 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-20050130992-A1 Pyrazolo-pyridine CHRM2, CHRM1, QDPR ERCC5 4469/4885FEN1 4584/4885PLOD2 3738/4885
US-20080051421-A1 Pyrazolo-pyridine CHRM2, CHRM1, QDPR ERCC5 4469/4885FEN1 4584/4885PLOD2 3738/4885

“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.