SCHEMBL2425954

SCHEMBL2425954

Cc1cc(C(N)=O)c(NC(C)CC(F)(F)F)cc1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 5/20 0.39
HSP90AB1 P08238 5/20 0.39
HCAR3 P49019 2/20 0.34
MAPK14 Q16539 1/20 0.32
SYK P43405 1/20 0.32
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
TAS2R14 Q9NYV8 2/20 0.32
NNMT P40261 1/20 0.31
AURKA O14965 1/20 0.31
RPS6KB1 P23443 1/20 0.31
GRM1 Q13255 1/20 0.31
POLB P06746 1/20 0.31
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 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
SCHEMBL2424139 0.85 HSP90AA1 (0.46) HSP90AA1HSP90AB1HCAR3MAPK14L3MBTL1
SCHEMBL2426568 0.85 HSP90AA1 (0.46) HSP90AA1HSP90AB1HCAR3MAPK14L3MBTL1
SCHEMBL2424142 0.85 HSP90AA1 (0.46) HSP90AA1HSP90AB1HCAR3MAPK14L3MBTL1
SCHEMBL29460660 0.85 HSP90AA1 (0.46) HSP90AA1HSP90AB1HCAR3MAPK14L3MBTL1
SCHEMBL4258452 0.82 MEN1 (0.34) HSP90AA1HSP90AB1MAPK14RXRARXRB
SCHEMBL2424707 0.81 HSP90AA1 (0.41) HSP90AA1HSP90AB1HCAR3MAPK14NNMT
SCHEMBL2424120 0.81 JAK2 (0.34) HSP90AA1HSP90AB1RXRARXRBTAS2R14
SCHEMBL2427400 0.80 HSP90AA1 (0.35) HSP90AA1HSP90AB1MAPK14RXRARXRB
SCHEMBL13450322 0.79 HSP90AA1 (0.47) HSP90AA1HSP90AB1HCAR3MAPK14L3MBTL1
SCHEMBL2423627 0.79 HSP90AA1 (0.37) HSP90AA1HSP90AB1HCAR3L3MBTL1NNMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8012956-B2 Tropane compounds EXELIXIS, INC. (US) 2011-09-06 US disclosed
US-8012956-B2 Tropane compounds EXELIXIS, INC. (US) 2011-09-06 US disclosed
US-8012956-B2 Tropane compounds EXELIXIS, INC. (US) 2011-09-06 US disclosed
EP-2074120-B1 TROPANE COMPOUNDS EXELIXIS INC (US) 2010-03-03 EP disclosed
EP-2074120-A1 TROPANE COMPOUNDS Exelixis, Inc. (US) 2009-07-01 EP disclosed
US-20090163471-A1 Tropane compounds EXELIXIS, INC. 2009-06-25 US disclosed
US-20090163471-A1 Tropane compounds EXELIXIS, INC. 2009-06-25 US disclosed
US-20090163471-A1 Tropane compounds EXELIXIS, INC. 2009-06-25 US disclosed
WO-2009055077-A1 TROPANE COMPOUNDS EXELIXIS, INC. (US) 2009-04-30 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-20090163471-A1 Tropane compounds ADRA1B, ADRA2B, ADRB2 HSP90AA1 1888/4885HSP90AB1 1352/4885HCAR3 1036/4885

“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.