SCHEMBL9953887

SCHEMBL9953887

CC[S+]([O-])c1ccccc1-c1nc2cc(C(F)(F)F)ccc2o1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UTRN P46939 4/20 0.44
AGPAT2 O15120 2/20 0.43
CETP P11597 1/20 0.43
KDM4E B2RXH2 3/20 0.41
PTPN2 P17706 3/20 0.41
PTPN1 P18031 3/20 0.41
PTPN5 P54829 3/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
GAA P10253 1/20 0.41
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
TP53 P04637 4/20 0.40
MAPT P10636 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
HSD17B10 Q99714 2/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40

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
SCHEMBL1027256 0.86 AGPAT2 (0.41) UTRNAGPAT2CETPKDM4EPTPN2
SCHEMBL15426361 0.83 KDM4E (0.53) AGPAT2KDM4EALDH1A1HPGDGAA
SCHEMBL15412002 0.83 S1PR1 (0.35) UTRNCETPKDM4EALDH1A1HPGD
SCHEMBL18819418 0.83 CETP (0.41) UTRNAGPAT2CETPPTPN2PTPN1
SCHEMBL21756353 0.79 UTRN (0.41) UTRNAGPAT2CETPKDM4EPTPN2
SCHEMBL16667078 0.79 UTRN (0.52) UTRNCETPKDM4EPTPN2PTPN1
SCHEMBL20708543 0.78 MAPT (0.64) UTRNAGPAT2CETPKDM4EPTPN2
SCHEMBL9952587 0.77 UTRN (0.45) UTRNAGPAT2CETPKDM4EPTPN2
SCHEMBL9951989 0.76 UTRN (0.49) UTRNAGPAT2CETPKDM4EPTPN2
SCHEMBL1023292 0.75 AGPAT2 (0.43) UTRNAGPAT2CETPKDM4EPTPN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3006429-B1 FUSED HETEROCYCLIC COMPOUND AND USE FOR PEST CONTROL THEREOF SUMITOMO CHEMICAL CO (JP) 2019-02-06 EP disclosed
EP-3006429-B1 FUSED HETEROCYCLIC COMPOUND AND USE FOR PEST CONTROL THEREOF SUMITOMO CHEMICAL CO (JP) 2019-02-06 EP disclosed
EP-2655337-B1 FUSED HETEROCYCLIC COMPOUND AND USE FOR PEST CONTROL THEREOF SUMITOMO CHEMICAL CO (JP) 2016-11-23 EP disclosed
EP-3006429-A1 FUSED HETEROCYCLIC COMPOUND AND USE FOR PEST CONTROL THEREOF SUMITOMO CHEMICAL CO., LTD. (JP) 2016-04-13 EP disclosed
US-9278983-B2 Fused heterocyclic compound and use thereof for pest control SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-03-08 US disclosed
US-9278983-B2 Fused heterocyclic compound and use thereof for pest control SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-03-08 US disclosed
US-20150148308-A1 PEST CONTROL COMPOSITION FOR HARMFUL ARTHROPODS, AND PEST CONTROL METHOD FOR HARMFUL ARTHROPODS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-05-28 US disclosed
US-20150148308-A1 PEST CONTROL COMPOSITION FOR HARMFUL ARTHROPODS, AND PEST CONTROL METHOD FOR HARMFUL ARTHROPODS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-05-28 US disclosed
EP-2865266-A1 PEST CONTROL COMPOSITION FOR HARMFUL ARTHROPODS, AND PEST CONTROL METHOD FOR HARMFUL ARTHROPODS Sumitomo Chemical Company, Limited (JP) 2015-04-29 EP disclosed
US-20140364444-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF FOR PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-12-11 US disclosed
US-20140364444-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF FOR PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-12-11 US disclosed
US-8853238-B2 Fused heterocyclic compound and use thereof for pest control SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-10-07 US disclosed
US-8853238-B2 Fused heterocyclic compound and use thereof for pest control SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-10-07 US disclosed
US-20140018373-A1 FUSED HETEROCYCLIC COMPOUND AND USE FOR PEST CONTROL THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-01-16 US disclosed
US-20140018373-A1 FUSED HETEROCYCLIC COMPOUND AND USE FOR PEST CONTROL THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-01-16 US disclosed
WO-2013187426-A1 PEST CONTROL METHOD FOR HARMFUL ARTHROPODS 住友化学株式会社 (JP) 2013-12-19 WO disclosed
EP-2655337-A1 FUSED HETEROCYCLIC COMPOUND AND USE FOR PEST CONTROL THEREOF Sumitomo Chemical Company Limited (JP) 2013-10-30 EP disclosed
WO-2012086848-A1 FUSED HETEROCYCLIC COMPOUND AND USE FOR PEST CONTROL THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-06-28 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 (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-20140018373-A1 FUSED HETEROCYCLIC COMPOUND AND USE FOR PEST CONTROL THEREOF NR4A1, NR2C2, NR0B1 UTRN 4020/4885AGPAT2 2585/4885CETP 4171/4885
US-20150148308-A1 PEST CONTROL COMPOSITION FOR HARMFUL ARTHROPODS, AND PEST CONTROL METHOD FOR HARMFUL ARTHROPODS SFXN1, OSR1, PIR UTRN 2585/4885AGPAT2 2447/4885CETP 4485/4885
US-20140364444-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF FOR PEST CONTROL NR4A1, NR2C2, NR0B1 UTRN 4089/4885AGPAT2 2563/4885CETP 4173/4885

“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.