SCHEMBL1149372

SCHEMBL1149372

Cc1[c]nnc(C(F)(F)F)c1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL14920622 0.74 NT5E (0.30)
SCHEMBL8627890 0.65
SCHEMBL21603060 0.65 HSP90AA1 (0.31) HSP90AA1HSP90AB1
SCHEMBL3704660 0.65 CA2 (0.38) HSP90AA1HSP90AB1KDM4ELMNA
SCHEMBL27641092 0.64 HSP90AA1 (0.42) HSP90AA1HSP90AB1KDM4E
SCHEMBL18307332 0.64 KDM4E (0.43) HSP90AA1HSP90AB1KDM4ELMNA
SCHEMBL17269959 0.62 KDM4E (0.38) HSP90AA1HSP90AB1KDM4ELMNA
SCHEMBL1499299 0.62 TRPV4 (0.35) HSP90AA1HSP90AB1
SCHEMBL1149520 0.61
SCHEMBL25408294 0.61 HSP90AA1 (0.31) HSP90AA1HSP90AB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8299262-B2 Pyridylmethyl-sulfonamide compounds BASF SE (DE) 2012-10-30 US disclosed
EP-2297134-A1 SUBSTITUTED PYRIDIN-4 -YL-METHYL SULFONAMIDES AS FUNGICIDES BASF SE (DE) 2011-03-23 EP disclosed
US-20110065577-A1 Substituted pyridin-4-yl-methyl sulfonamides as fungicides BASF SE (DE) 2011-03-17 US disclosed
US-20110045974-A1 Substituted Triazinylmethyl Sulfonamides BASF SE (DE) 2011-02-24 US disclosed
EP-2262794-A1 SULFONAMIDE COMPOUNDS AND THEIR USE AS FUNGICIDE BASF SE (DE) 2010-12-22 EP disclosed
US-20100317516-A1 Sulfonamide Compounds And Their Use As Fungicide BASF SE (DE) 2010-12-16 US disclosed
EP-2252600-A1 SUBSTITUTED TRIAZINYLMETHYL SULFONAMIDES BASF SE (DE) 2010-11-24 EP disclosed
US-20100249077-A1 Pyridylmethyl-Sulfonamide Compounds BASF SE (DE) 2010-09-30 US disclosed
EP-2231605-A1 PYRIDYLMETHYL-SULFONAMIDE COMPOUNDS BASF SE (DE) 2010-09-29 EP disclosed
WO-2009141274-A1 SUBSTITUTED PYRIDIN-4 -YL-METHYL SULFONAMIDES AS FUNGICIDES BASF SE (DE) 2009-11-26 WO disclosed
WO-2009112533-A1 SUBSTITUTED TRIAZINYLMETHYL SULFONAMIDES BASF SE (DE) 2009-09-17 WO disclosed
WO-2009103650-A1 SULFONAMIDE COMPOUNDS AND THEIR USE AS FUNGICIDE BASF SE (DE) 2009-08-27 WO disclosed
WO-2009071448-A1 PYRIDYLMETHYL-SULFONAMIDE COMPOUNDS BASF SE (DE) 2009-06-11 WO disclosed
WO-2009071449-A1 PYRIDYLMETHYL-SULFONAMIDE COMPOUNDS BASF SE (DE) 2009-06-11 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 (4 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-20100317516-A1 Sulfonamide Compounds And Their Use As Fungicide STS, ARSA, CYP4X1 HSP90AA1 2075/4885HSP90AB1 1949/4885KDM4E 705/4885
US-20110045974-A1 Substituted Triazinylmethyl Sulfonamides STS, TST, TPST2 HSP90AA1 1398/4885HSP90AB1 1057/4885KDM4E 1795/4885
US-20100249077-A1 Pyridylmethyl-Sulfonamide Compounds CBR3, CBR1, CBS HSP90AA1 1979/4885HSP90AB1 1707/4885KDM4E 2704/4885
US-20110065577-A1 Substituted pyridin-4-yl-methyl sulfonamides as fungicides CYP4X1, PNPO, PADI1 HSP90AA1 3025/4885HSP90AB1 3210/4885KDM4E 302/4885

“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.