SCHEMBL4695895

SCHEMBL4695895

COC(=O)C(C(=O)OC)c1ncccc1C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.56
MAPK1 P28482 1/20 0.48
TRPM8 Q7Z2W7 15/20 0.47
NFE2L2 Q16236 1/20 0.41
GAA P10253 1/20 0.40
SLC22A12 Q96S37 1/20 0.40

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
SCHEMBL895488 0.88 ALDH1A1 (0.44) ALDH1A1TRPM8GAA
SCHEMBL5440655 0.82 MEN1 (0.41) ALDH1A1TRPM8GAA
SCHEMBL27638999 0.76 TRPM8 (0.50) TRPM8GAA
SCHEMBL22615526 0.76 TRPM8 (0.43) TRPM8NFE2L2GAASLC22A12
SCHEMBL29688647 0.76 TRPM8 (0.43) TRPM8NFE2L2GAASLC22A12
SCHEMBL27656606 0.76 ALDH1A1 (0.56) ALDH1A1MAPK1GAA
SCHEMBL2009099 0.75 NFE2L2 (0.42) ALDH1A1MAPK1TRPM8NFE2L2GAA
SCHEMBL29781435 0.75 ALDH1A1 (0.55) ALDH1A1MAPK1
SCHEMBL22553412 0.75 ALDH1A1 (0.55) ALDH1A1MAPK1
SCHEMBL4547925 0.75 TRPM8 (0.47) TRPM8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1641800-B1 PYRAZOLOPYRIMIDINES BAYER CROPSCIENCE AG (DE) 2008-03-05 EP disclosed
EP-1641800-B1 PYRAZOLOPYRIMIDINES BAYER CROPSCIENCE AG (DE) 2008-03-05 EP disclosed
US-20070293514-A1 Triazolopyrimidines BAYER CROPSCIEMCE AG (DE) 2007-12-20 US disclosed
US-20070293514-A1 Triazolopyrimidines BAYER CROPSCIEMCE AG (DE) 2007-12-20 US disclosed
US-20070275985-A1 Triazolopyrimidines BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2007-11-29 US disclosed
US-20070275985-A1 Triazolopyrimidines BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2007-11-29 US disclosed
US-20070275985-A1 Triazolopyrimidines BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2007-11-29 US disclosed
US-20070179162-A1 Triazolopyrimdines BAYER CROPSCIENCE AG (DE) 2007-08-02 US disclosed
US-20070179162-A1 Triazolopyrimdines BAYER CROPSCIENCE AG (DE) 2007-08-02 US disclosed
US-20070179162-A1 Triazolopyrimdines BAYER CROPSCIENCE AG (DE) 2007-08-02 US disclosed
CN-1809571-A Fungicidal triazolopyrimidines BAYER CROPSCIENCE AG (DE) 2006-07-26 CN disclosed
CN-1802379-A Triazolopyrimidines BAYER CROPSCIENCE AG (DE) 2006-07-12 CN disclosed
EP-1644374-A1 TRIAZOLOPYRIMIDINES Bayer CropScience AG (DE) 2006-04-12 EP disclosed
EP-1641798-A1 TRIAZOLOPYRIMIDINES Bayer CropScience Aktiengesellschaft (DE) 2006-04-05 EP disclosed
EP-1641800-A1 PYRAZOLOPYRIMIDINES Bayer CropScience AG (DE) 2006-04-05 EP disclosed
EP-1638400-A2 TRIAZOLOPYRIMIDINES Bayer CropScience AG (DE) 2006-03-29 EP disclosed
WO-2005000851-A1 PYRAZOLOPYRIMIDINES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2005-01-06 WO disclosed
WO-2004112480-A2 TRIAZOLOPYRIMIDINES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2004-12-29 WO disclosed
WO-2004113342-A1 TRIAZOLOPYRIMIDINES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2004-12-29 WO disclosed
WO-2004108727-A1 TRIAZOLOPYRIMIDINES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2004-12-16 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 (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-20070293514-A1 Triazolopyrimidines QDPR, DPYD, Q6ZSR9 ALDH1A1 1155/4885MAPK1 3329/4885TRPM8 3567/4885
US-20070179162-A1 Triazolopyrimdines QDPR, CYP2D6, CYP1B1 ALDH1A1 299/4885MAPK1 2242/4885TRPM8 2544/4885
US-20070275985-A1 Triazolopyrimidines DPYD, QDPR, P2RX5 ALDH1A1 395/4885MAPK1 1918/4885TRPM8 2708/4885

“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.