SCHEMBL4621597

SCHEMBL4621597

Cc1c(CO)ccc(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 2/20 0.39
CD274 Q9NZQ7 2/20 0.39
METAP2 P50579 1/20 0.35
P2RX7 Q99572 7/20 0.35
MAPK1 P28482 1/20 0.33
MAP2K4 P45985 1/20 0.33
MAPKAPK2 P49137 1/20 0.33
MAPKAPK3 Q16644 1/20 0.33
MAPK6 Q16659 1/20 0.33
RIPK1 Q13546 1/20 0.33
HDAC4 P56524 1/20 0.33
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP4F2 P78329 1/20 0.31

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
SCHEMBL25550122 0.82 PDCD1 (0.39) PDCD1CD274METAP2MAPK1MAP2K4
SCHEMBL4621767 0.82 MAPK1 (0.36) PDCD1CD274METAP2MAPK1MAP2K4
SCHEMBL8097082 0.79 RIPK1 (0.38) METAP2P2RX7RIPK1HDAC4CES2
SCHEMBL18566713 0.79 P2RX7 (0.33) P2RX7RIPK1HDAC4GPR84
SCHEMBL24357772 0.78 PDCD1 (0.37) PDCD1CD274METAP2
SCHEMBL27831465 0.78 PDCD1 (0.37) PDCD1CD274METAP2
SCHEMBL19948999 0.78 PDCD1 (0.37) PDCD1CD274METAP2MAPK1MAP2K4
SCHEMBL29780412 0.78 CES2 (0.41) P2RX7MAPK1MAP2K4MAPKAPK2MAPKAPK3
SCHEMBL698604 0.78 CES2 (0.41) P2RX7MAPK1MAP2K4MAPKAPK2MAPKAPK3
SCHEMBL5156289 0.77 P2RX7 (0.32) P2RX7RIPK1HDAC4GPR84

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1514864-B1 Difluoralkyl aromatic compounds SALTIGO GMBH (DE) 2008-03-19 EP claimed
US-10106535-B2 Histone deacetylase inhibitors and compositions and methods of use thereof CHDI FOUNDATION, INC. (US) 2018-10-23 US disclosed
US-20170305900-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2017-10-26 US disclosed
US-20170305900-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2017-10-26 US disclosed
US-20170305900-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2017-10-26 US disclosed
US-9783488-B2 Histone deacetylase inhibitors and compositions and methods of use thereof CHDI FOUNDATION, INC. (US) 2017-10-10 US disclosed
US-9783488-B2 Histone deacetylase inhibitors and compositions and methods of use thereof CHDI FOUNDATION, INC. (US) 2017-10-10 US disclosed
US-9783488-B2 Histone deacetylase inhibitors and compositions and methods of use thereof CHDI FOUNDATION, INC. (US) 2017-10-10 US disclosed
US-9617259-B2 Histone deacetylase inhibitors and compositions and methods of use thereof CHDI FOUNDATION, INC. (US) 2017-04-11 US disclosed
US-9617259-B2 Histone deacetylase inhibitors and compositions and methods of use thereof CHDI FOUNDATION, INC. (US) 2017-04-11 US disclosed
EP-2968233-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI Foundation, Inc. (US) 2016-01-20 EP disclosed
EP-2968207-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS CHDI Foundation, Inc. (US) 2016-01-20 EP disclosed
WO-2014159218-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS CHDI FOUNDATION, INC. (US) 2014-10-02 WO disclosed
WO-2014159224-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. (US) 2014-10-02 WO disclosed
WO-2014159218-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS CHDI FOUNDATION, INC. (US) 2014-10-02 WO disclosed
WO-2014159224-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. (US) 2014-10-02 WO disclosed
US-20140127478-A1 COMPOSITION FOR FORMING FINE PATTERN AND METHOD FOR FORMING FINED PATTERN USING SAME AZ ELECTRONIC MATERIALS USA CORP. 2014-05-08 US disclosed
EP-1514864-B1 Difluoralkyl aromatic compounds SALTIGO GMBH (DE) 2008-03-19 EP disclosed
EP-1514864-A2 Difluoralkyl aromatic compounds Bayer Chemicals AG (DE) 2005-03-16 EP disclosed
US-20050054733-A1 Difluoroalkylaromatics LANXESS DEUTSCHLAND GMBH (DE) 2005-03-10 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-20170305900-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF HDAC1, HDAC7, HDAC5 PDCD1 4153/4885CD274 4567/4885METAP2 1891/4885
US-20050054733-A1 Difluoroalkylaromatics NQO1, TYR, FLI1 PDCD1 4202/4885CD274 4217/4885METAP2 2494/4885
US-10106535-B2 Histone deacetylase inhibitors and compositions and methods of use thereof HDAC1, HDAC7, HDAC5 PDCD1 4153/4885CD274 4567/4885METAP2 1891/4885

“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.