SCHEMBL1634977

SCHEMBL1634977

Cc1c(F)cc(F)c(CC(=O)O)c1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGBL2 Q5U5Z8 1/20 0.39
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
KDM4E B2RXH2 3/20 0.36
MAPT P10636 3/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 2/20 0.36
POLB P06746 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
AKR1B1 P15121 1/20 0.34
GABRR1 P24046 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
PTGDR2 Q9Y5Y4 3/20 0.34

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
SCHEMBL3416133 0.85 AGBL2 (0.39) AGBL2KDM4EMAPTALDH1A1GAA
SCHEMBL11872196 0.83 HTT (0.39) HDAC1HDAC6
SCHEMBL29009868 0.82 CA1 (0.40) AGBL2AKR1B1
SCHEMBL1415209 0.81 AGBL2 (0.42) AGBL2KDM4EMAPTALDH1A1GAA
SCHEMBL15626646 0.78 MAPT (0.46) AGBL2KDM4EMAPTALDH1A1GAA
SCHEMBL11269548 0.77 CA1 (0.43) AGBL2AKR1B1
SCHEMBL1415207 0.77 PTGS1 (0.40) AGBL2HDAC1HDAC6MAPTPOLB
SCHEMBL3416138 0.77 AGBL2 (0.42) AGBL2KDM4EMAPTALDH1A1GAA
SCHEMBL21696348 0.74 HDAC1 (0.30) HDAC1HDAC6
SCHEMBL1328731 0.74 AKR1B1 (0.38) AGBL2KDM4EMAPTALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7033424-B2 Phase change inks XEROX CORPORATION (US) 2006-04-25 US claimed
US-7932257-B2 Substituted pyrazolo[4,3-d]pyrimidines as aurora kinase inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2011-04-26 US disclosed
EP-1958993-A1 Phase change inks containing colorant compounds Xerox Corporation (US) 2008-08-20 EP disclosed
EP-1956054-A2 Colorant compounds Xerox Corporation (US) 2008-08-13 EP disclosed
EP-1915377-A1 PYRAZOLO PYRIMIDINES USEFUL AS AURORA KINASE INHIBITORS Sunesis Pharmaceuticals, Inc. (US) 2008-04-30 EP disclosed
US-20070027166-A1 Pyrazolo pyrimidines useful as aurora kinase inhibitors SUNESIS PHARMACEUTICALS, INC. 2007-02-01 US disclosed
WO-2007013964-A1 PYRAZOLO PYRIMIDINES USEFUL AS AURORA KINASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. (US) 2007-02-01 WO disclosed
US-7033424-B2 Phase change inks XEROX CORPORATION (US) 2006-04-25 US disclosed
US-20060020141-A1 Metallized dye XEROX CORPORATION 2006-01-26 US disclosed
EP-1268581-B1 STABLE INITIATOR SYSTEM JOHNSON & JOHNSON VISION CARE (US) 2004-11-24 EP disclosed
EP-1268581-A2 STABLE INITIATOR SYSTEM Johnson & Johnson Vision Care, Inc. (US) 2003-01-02 EP disclosed
US-6414049-B1 SILICONE, ACYLPHOSPHINE PROMOTER, ACID MIXTURE JOHNSON & JOHNSON VISION CARE, INC. 2002-07-02 US disclosed
WO-2001070824-A2 STABLE INITIATOR SYSTEM JOHNSON & JOHNSON VISION CARE, INC. (US) 2001-09-27 WO disclosed
US-5925527-A SCREENING NEW PHARMACEUTICALS TREGA BIOSCIENCES, INC. (US) 1999-07-20 US disclosed
WO-1998034113-A1 COMBINATORIAL LIBRARIES OF BICYCLIC GUANIDINE DERIVATIVES AND COMPOUNDS THEREIN TREGA BIOSCIENCES, INC. (US) 1998-08-06 WO disclosed
US-5622137-A FOR USE IN TESTING COOKED FOODS TRANS WORLD SERVICES (US) 1997-04-22 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 (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-20060020141-A1 Metallized dye CDYL, CDY1; CDY1B, CDYL2 AGBL2 1525/4885HDAC1 1458/4885HDAC6 2900/4885
US-20070027166-A1 Pyrazolo pyrimidines useful as aurora kinase inhibitors AURKA, AURKB, AURKC AGBL2 1543/4885HDAC1 1206/4885HDAC6 1917/4885

“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.