SCHEMBL116199

SCHEMBL116199

O=C(Nc1cccc2cc(OS(=O)(=O)C(F)(F)F)ccc12)C1CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.44
GAA P10253 2/20 0.43
PKM P14618 1/20 0.43
USP2 O75604 2/20 0.41
HPGD P15428 2/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PLAU P00749 1/20 0.41
KDM4E B2RXH2 1/20 0.41
RXFP1 Q9HBX9 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.40
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
ABL1 P00519 2/20 0.40
CASP6 P55212 1/20 0.39
NQO2 P16083 1/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39

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
SCHEMBL118218 0.83 CASP6 (0.57) HPGDKDM4EALDH1A1MAPTCASP6
SCHEMBL117162 0.83 CASP6 (0.43) GAAHPGDRXFP1ALDH1A1MAPT
SCHEMBL115453 0.80 RXFP1 (0.43) HPGDLMNARXFP1ALDH1A1CASP6
SCHEMBL8755775 0.74 CASP6 (0.48) HPGDPLAUKDM4EALDH1A1MAPT
SCHEMBL8923098 0.73 PLAU (0.54) HPGDLMNAHTTPLAUKDM4E
SCHEMBL27865385 0.73 CA1 (0.33)
SCHEMBL272962 0.72 PDE4B (0.51) HPGDLMNAKDM4EALDH1A1MAPT
SCHEMBL3110652 0.72 HTR1A (0.42) LMNAHTTSMN1; SMN2MTNR1AMTNR1B
SCHEMBL34471894 0.71 CA1 (0.43) GAAHPGDLMNAKDM4EALDH1A1
SCHEMBL6808137 0.71 HTR1D (0.41) LMNAHTTSMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120129854-A1 Pesticidal Arylpyrrolidines BAYER CROPSCIENCE AG (DE) 2012-05-24 US disclosed
EP-2424838-A1 PESTICIDAL ARYLPYRROLIDINES Bayer CropScience AG (DE) 2012-03-07 EP disclosed
WO-2010124845-A1 PESTICIDAL ARYLPYRROLIDINES BAYER CROPSCIENCE AG (DE) 2010-11-04 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-20120129854-A1 Pesticidal Arylpyrrolidines DDT, AADAC, AHR EPHX2 1111/4885GAA 1467/4885PKM 1145/4885

“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.