SCHEMBL115453

SCHEMBL115453

CC(C)(C)OC(=O)Nc1cccc2cc(OS(=O)(=O)C(F)(F)F)ccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.43
CASP6 P55212 1/20 0.42
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
GABRB1 P18505 1/20 0.40
GABRB2 P47870 1/20 0.40
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
KAT6A Q92794 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
HSD11B1 P28845 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.37
SIRT1 Q96EB6 1/20 0.37
SIRT3 Q9NTG7 1/20 0.37

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
SCHEMBL24149842 0.91 TRPV1 (0.46) RXFP1HSP90AA1HSP90AB1GABRB1GABRB2
SCHEMBL118218 0.86 CASP6 (0.57) CASP6ALDH1A1HPGDCA12CA1
SCHEMBL117162 0.83 CASP6 (0.43) RXFP1CASP6ALDH1A1HPGDCA12
SCHEMBL8923098 0.80 PLAU (0.54) ALDH1A1HPGDCA12CA1CA2
SCHEMBL116199 0.80 EPHX2 (0.44) RXFP1CASP6ALDH1A1HPGDLMNA
SCHEMBL27453735 0.79 RXFP1 (0.46) RXFP1CASP6ALDH1A1HPGDTRPV1
SCHEMBL30077817 0.79 RXFP1 (0.46) RXFP1CASP6ALDH1A1HPGDTRPV1
SCHEMBL487112 0.79 TRPV1 (0.44) RXFP1HSP90AA1HSP90AB1ALDH1A1HPGD
SCHEMBL14059000 0.79 CASP6 (0.68) RXFP1CASP6HSP90AA1HSP90AB1ALDH1A1
SCHEMBL6242484 0.78 KAT6A (0.47) RXFP1ALDH1A1KAT6ACA1CA2

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 11 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
US-20120129854-A1 Pesticidal Arylpyrrolidines BAYER CROPSCIENCE AG (DE) 2012-05-24 US disclosed
US-20120129854-A1 Pesticidal Arylpyrrolidines BAYER CROPSCIENCE AG (DE) 2012-05-24 US disclosed
CN-102414175-A Insecticidal arylpyrrolidines BAYER CROPSCIENCE AG 2012-04-11 CN 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
WO-2010124845-A1 PESTICIDAL ARYLPYRROLIDINES BAYER CROPSCIENCE AG (DE) 2010-11-04 WO disclosed
US-7001900-B2 Azabicyclic compounds for the treatment of disease PFIZER INC. (US) 2006-02-21 US disclosed
EP-1478646-A1 AZABICYCLIC COMPOUNDS WITH ALFA7 NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY PHARMACIA & UPJOHN COMPANY (US) 2004-11-24 EP disclosed
US-20030236270-A1 Azabicyclic compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 US disclosed
WO-2003072578-A1 AZABICYCLIC COMPOUNDS WITH ALFA7 NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY PHARMACIA & UPJOHN COMPANY (US) 2003-09-04 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 (2 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 RXFP1 2234/4885CASP6 613/4885HSP90AA1 1623/4885
US-20030236270-A1 Azabicyclic compounds for the treatment of disease MALT1, TPMT, CYP2B6 RXFP1 3198/4885CASP6 1594/4885HSP90AA1 4062/4885

“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.