SCHEMBL2444455

SCHEMBL2444455

O=S(=O)(NC1CC1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.61
KDM4E B2RXH2 1/20 0.61
RECQL P46063 1/20 0.61
KMT2A Q03164 2/20 0.56
TDP1 Q9NUW8 1/20 0.56
MAPT P10636 3/20 0.54
LMNA P02545 4/20 0.52
TP53 P04637 2/20 0.52
ALDH1A1 P00352 4/20 0.51
CYP3A4 P08684 1/20 0.51
TSHR P16473 1/20 0.51
MAPK1 P28482 1/20 0.51
HTT P42858 1/20 0.51
DPP4 P27487 1/20 0.48
PREP P48147 1/20 0.48
DPP7 Q9UHL4 1/20 0.48
MEN1 O00255 1/20 0.48
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
PARG Q86W56 1/20 0.47

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
SCHEMBL4799253 0.92 KDM4E (0.53) SMN1; SMN2KDM4ERECQLKMT2ATDP1
SCHEMBL4799245 0.92 KDM4E (0.53) SMN1; SMN2KDM4ERECQLKMT2ATDP1
SCHEMBL12572276 0.92 SMN1; SMN2 (0.71) SMN1; SMN2KDM4ERECQLKMT2AMAPT
SCHEMBL12576956 0.89 KDM4E (0.50) SMN1; SMN2KDM4ERECQLKMT2ATDP1
SCHEMBL24529785 0.89 WNT3 (0.54) SMN1; SMN2KDM4ERECQLKMT2ATDP1
SCHEMBL1952679 0.89 SMN1; SMN2 (0.53) SMN1; SMN2KDM4ERECQLKMT2ATDP1
SCHEMBL1949934 0.88 ALDH1A1 (0.68) SMN1; SMN2KDM4ERECQLKMT2ATDP1
SCHEMBL1949936 0.88 ALDH1A1 (0.68) SMN1; SMN2KDM4ERECQLKMT2ATDP1
SCHEMBL1951822 0.88 KDM4E (0.49) SMN1; SMN2KDM4ERECQLKMT2ATDP1
SCHEMBL1951821 0.88 KDM4E (0.49) SMN1; SMN2KDM4ERECQLKMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110230350-A1 ARYL-AND HETARYLSULFONAMIDES AS ACTIVE INGREDIENTS AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2011-09-22 US claimed
US-20110230350-A1 ARYL-AND HETARYLSULFONAMIDES AS ACTIVE INGREDIENTS AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2011-09-22 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-20110230350-A1 ARYL-AND HETARYLSULFONAMIDES AS ACTIVE INGREDIENTS AGAINST ABIOTIC PLANT STRESS STS, ARSA, TST SMN1; SMN2 4603/4885KDM4E 2481/4885RECQL 1880/4885

“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.