SCHEMBL9952116

SCHEMBL9952116

CCSc1cc(F)ccc1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.44
CES2 O00748 2/20 0.40
CES1 P23141 2/20 0.40
DDR1 Q08345 2/20 0.39
CYP1A2 P05177 1/20 0.39
DCLRE1B Q9H816 1/20 0.38
PTPRC P08575 1/20 0.38
PTPRG P23470 1/20 0.38
POLB P06746 2/20 0.37
NOTUM Q6P988 1/20 0.37
CLCN2 P51788 1/20 0.37
KDM4E B2RXH2 3/20 0.36
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
USP2 O75604 1/20 0.36
DHFR P00374 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36

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
SCHEMBL20152377 0.81 CSNK2A1 (0.47) CYP1A2PTPRCPTPRGPOLBKDM4E
SCHEMBL4070485 0.80 KEAP1 (0.48) KEAP1CES2CES1CYP1A2DCLRE1B
SCHEMBL19973526 0.80 KEAP1 (0.42) KEAP1CES2CES1CYP1A2DCLRE1B
SCHEMBL17286632 0.80 PTPRC (0.42) CYP1A2PTPRCPTPRGPOLBKDM4E
SCHEMBL6227141 0.80 POLB (0.52) KEAP1CES2CES1CYP1A2DCLRE1B
SCHEMBL17495183 0.79 PTPRC (0.57) CYP1A2PTPRCPTPRGPOLBKDM4E
SCHEMBL16666658 0.79 ALDH1A1 (0.53) CES2DDR1CYP1A2KDM4EMEN1
SCHEMBL11823500 0.76 ALDH1A1 (0.46) CYP1A2DCLRE1BPTPRGKDM4EMEN1
SCHEMBL11826469 0.75 FFAR1 (0.47) CYP1A2PTPRCPTPRGPOLBMEN1
SCHEMBL30786144 0.75 FFAR1 (0.47) CYP1A2PTPRCPTPRGPOLBMEN1

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
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-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-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 (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 KEAP1 334/4885CES2 1835/4885CES1 1484/4885
US-20150148308-A1 PEST CONTROL COMPOSITION FOR HARMFUL ARTHROPODS, AND PEST CONTROL METHOD FOR HARMFUL ARTHROPODS SFXN1, OSR1, PIR KEAP1 756/4885CES2 3546/4885CES1 3544/4885
US-20140364444-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF FOR PEST CONTROL NR4A1, NR2C2, NR0B1 KEAP1 277/4885CES2 1939/4885CES1 1541/4885

“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.