SCHEMBL3133633

SCHEMBL3133633

COC(=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 2/20 0.54
KDM4E B2RXH2 5/20 0.44
GAA P10253 2/20 0.44
HSD17B10 Q99714 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
GLA P06280 1/20 0.44
MAPT P10636 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
ATM Q13315 1/20 0.44
NOTUM Q6P988 2/20 0.42
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 2/20 0.42
PDK2 Q15119 1/20 0.42
PDK4 Q16654 1/20 0.42

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
SCHEMBL167426 0.86 CFTR (0.71) CFTRKDM4EGAAHSD17B10ALDH1A1
SCHEMBL5354905 0.84 CFTR (0.51) CFTRKDM4EGAAHSD17B10ALDH1A1
SCHEMBL18512401 0.81 CFTR (0.50) CFTRKDM4EGAAHSD17B10ALDH1A1
SCHEMBL5355523 0.81 KDM4E (0.41) CFTRKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL3146241 0.81 RXRB (0.41) CFTRKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL2892428 0.81 CFTR (0.50) CFTRKDM4EGAAHSD17B10ALDH1A1
SCHEMBL3138225 0.81 RXRB (0.57) KDM4EHSD17B10ALDH1A1HPGDNOTUM
SCHEMBL19970602 0.81 CFTR (0.59) CFTRKDM4EGAAHSD17B10ALDH1A1
SCHEMBL5358259 0.80 CFTR (0.48) CFTRKDM4EGAAHSD17B10ALDH1A1
SCHEMBL2270134 0.80 CFTR (0.57) CFTRKDM4EGAAALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8466180-B2 Insecticidal compounds SYNGENTA CROP PROTECTION LLC (US) 2013-06-18 US disclosed
US-20100076078-A1 INSECTICIDAL COMPOUNDS SYNGENTA CORP PROTECTION, INC. (US) 2010-03-25 US disclosed
EP-2069287-A1 INSECTICIDAL COMPOUNDS Syngeta Participations AG (CH) 2009-06-17 EP disclosed
WO-2008031534-A1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2008-03-20 WO disclosed
US-7169955-B2 Perfluoroisopropylbenzene derivative NIHON NOHYAKU CO., LTD. (JP) 2007-01-30 US disclosed
US-20050113567-A1 Perfluoroisopropylbenzene derivative NIHON NOHYAKU CO., LTD. (JP) 2005-05-26 US disclosed
US-20030187233-A1 PERFLUOROISOPROPYBENZENE DERIVATIVE NIHON NOHYAKU CO., LTD. (JP) 2003-10-02 US disclosed
EP-1253128-A1 PERFLUOROISOPROPYLBENZENE DERIVATIVES Nihon Nohyaku Co., Ltd. (JP) 2002-10-30 EP 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 (3 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-20030187233-A1 PERFLUOROISOPROPYBENZENE DERIVATIVE AFF1, CBR1, RER1 CFTR 526/4885KDM4E 2908/4885GAA 4868/4885
US-20100076078-A1 INSECTICIDAL COMPOUNDS ACHE, CHRM1, CHRM2 CFTR 2756/4885KDM4E 2297/4885GAA 1042/4885
US-20050113567-A1 Perfluoroisopropylbenzene derivative FFAR3, CBR3, HCAR3 CFTR 418/4885KDM4E 3340/4885GAA 4857/4885

“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.