SCHEMBL9952946

SCHEMBL9952946

O=CCC(S)c1cccc(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.47
ACP3 P15309 4/20 0.44
CES2 O00748 2/20 0.44
IDO1 P14902 1/20 0.42
TDO2 P48775 1/20 0.42
DAO P14920 1/20 0.40
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
EPHX1 P07099 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
POLB P06746 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL13358903 0.81 PNMT (0.51) PNMTACP3CES2IDO1TDO2
SCHEMBL6703600 0.81 PNMT (0.47) PNMTACP3CES2IDO1TDO2
SCHEMBL6425368 0.78 HDAC4 (0.41) CES2IDO1TDO2
SCHEMBL6970288 0.74 ACP3 (0.50) PNMTACP3CES2IDO1TDO2
SCHEMBL15331089 0.74 ACP3 (0.50) PNMTACP3CES2IDO1TDO2
SCHEMBL21614343 0.74 CES2 (0.45) PNMTACP3CES2EPHX1MEN1
SCHEMBL5738723 0.74 CES2 (0.62) PNMTACP3CES2ALDH1A1POLB
SCHEMBL21614344 0.74 CES2 (0.45) PNMTACP3CES2EPHX1MEN1
SCHEMBL8181824 0.73 CYP2D6 (0.39) HTR2AMAPK1SMN1; SMN2
SCHEMBL22497538 0.72 PNMT (0.51) PNMTACP3CES2IDO1TDO2

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 9 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-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-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-20140018373-A1 FUSED HETEROCYCLIC COMPOUND AND USE FOR PEST CONTROL THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-01-16 US 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 (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-20140018373-A1 FUSED HETEROCYCLIC COMPOUND AND USE FOR PEST CONTROL THEREOF NR4A1, NR2C2, NR0B1 PNMT 1810/4885ACP3 4691/4885CES2 1835/4885
US-20140364444-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF FOR PEST CONTROL NR4A1, NR2C2, NR0B1 PNMT 1717/4885ACP3 4710/4885CES2 1939/4885

“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.