SCHEMBL117162

SCHEMBL117162

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 1/20 0.43
PTPRC P08575 1/20 0.42
POLB P06746 1/20 0.41
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40
HPGD P15428 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MTNR1A P48039 2/20 0.39
MTNR1B P49286 1/20 0.39
GPR35 Q9HC97 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
MAPT P10636 1/20 0.39
HSD11B1 P28845 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
SCHEMBL118218 0.87 CASP6 (0.57) CASP6POLBALDH1A1HPGDMEN1
SCHEMBL116199 0.83 EPHX2 (0.44) CASP6ALDH1A1GAARXFP1HPGD
SCHEMBL115453 0.83 RXFP1 (0.43) CASP6POLBALDH1A1RXFP1HPGD
SCHEMBL8755775 0.77 CASP6 (0.48) CASP6POLBALDH1A1HPGDMTNR1A
SCHEMBL8923098 0.76 PLAU (0.54) ALDH1A1HPGDMEN1KMT2AMTNR1A
SCHEMBL272962 0.76 PDE4B (0.51) ALDH1A1HPGDMTNR1AMTNR1BMAPT
SCHEMBL2115262 0.75 CDC25B (0.48) ALDH1A1MEN1KMT2AHSD11B1TSHR
SCHEMBL11900538 0.74 RAB9A (0.54) CASP6POLBALDH1A1GAACYP1A2
SCHEMBL11876012 0.74 RXFP1 (0.53) CASP6POLBALDH1A1GAACYP1A2
SCHEMBL24149842 0.74 TRPV1 (0.46) POLBALDH1A1RXFP1HPGDMTNR1A

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 CASP6 613/4885PTPRC 1034/4885POLB 4780/4885

“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.