SCHEMBL2196885

SCHEMBL2196885

Cc1nc(C(F)(F)F)c(C(=O)Nc2ccc(F)cc2B(O)O)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 2/20 0.46
GAA P10253 2/20 0.46
WDR5 P61964 1/20 0.44
MAPT P10636 5/20 0.44
KDM4E B2RXH2 2/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.40
RAB9A P51151 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD11B1 P28845 1/20 0.39
POLB P06746 1/20 0.39
THRB P10828 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL4153381 0.87 GAA (0.52) LIPEGAAWDR5MAPTKDM4E
SCHEMBL2199397 0.85 MEN1 (0.48) GAAWDR5MAPTKDM4EHTT
SCHEMBL2200148 0.81 MAPT (0.49) GAAWDR5MAPTKDM4EHTT
SCHEMBL4668294 0.80 GAA (0.42) GAAWDR5MAPTKDM4EHTT
SCHEMBL13304546 0.79 GAA (0.42) GAAWDR5MAPTKDM4EHTT
SCHEMBL14564515 0.78 MAPT (0.46) GAAWDR5MAPTKDM4EHTT
SCHEMBL2202643 0.78 CHRM3 (0.44) GAAWDR5MAPTKDM4EHTT
SCHEMBL12424051 0.77 WDR5 (0.41) GAAWDR5MAPTKDM4EHTT
SCHEMBL2199612 0.77 CHRM3 (0.44) GAAWDR5MAPTKDM4EHTT
SCHEMBL23367944 0.77 MEN1 (0.56) GAAMAPTKDM4EHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7977363-B2 Fungicides/bactericides for plant protection; exhibit a strong fortifying effect in plants; for controlling cereal diseases against Puccinia species, and diseases in viticulture and fruit and vegetable production against Botrytis, Venturia or Alternaria species; low toxicity; tolrerance BAYER CROPSCIENCE AG (DE) 2011-07-12 US disclosed
US-7977363-B2 Fungicides/bactericides for plant protection; exhibit a strong fortifying effect in plants; for controlling cereal diseases against Puccinia species, and diseases in viticulture and fruit and vegetable production against Botrytis, Venturia or Alternaria species; low toxicity; tolrerance BAYER CROPSCIENCE AG (DE) 2011-07-12 US disclosed
US-7977363-B2 Fungicides/bactericides for plant protection; exhibit a strong fortifying effect in plants; for controlling cereal diseases against Puccinia species, and diseases in viticulture and fruit and vegetable production against Botrytis, Venturia or Alternaria species; low toxicity; tolrerance BAYER CROPSCIENCE AG (DE) 2011-07-12 US disclosed
US-20080242708-A1 Biphenyl-Thiazolo-Carboxamides BAYER CROPSCIENCE AG (DE) 2008-10-02 US disclosed
US-20080242708-A1 Biphenyl-Thiazolo-Carboxamides BAYER CROPSCIENCE AG (DE) 2008-10-02 US disclosed
US-20080242708-A1 Biphenyl-Thiazolo-Carboxamides BAYER CROPSCIENCE AG (DE) 2008-10-02 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 (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-20080242708-A1 Biphenyl-Thiazolo-Carboxamides MRPL21, CBR3, NAT1 LIPE 1398/4885GAA 1475/4885WDR5 1530/4885

“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.