SCHEMBL472704

SCHEMBL472704

CC(C)(C)N(C(=O)O)c1cccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
ORAI1 Q96D31 3/20 0.33
ITGB1 P05556 1/20 0.33
ITGA4 P13612 1/20 0.33
RECQL P46063 2/20 0.32
F2 P00734 4/20 0.32
F10 P00742 4/20 0.32
PRSS1 P07477 4/20 0.32
POLB P06746 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
APAF1 O14727 1/20 0.32
PABPC1 P11940 1/20 0.32
GRK2 P25098 1/20 0.32
MCL1 Q07820 1/20 0.32
EIF4H Q15056 1/20 0.32
KDM4E B2RXH2 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
NPC1 O15118 1/20 0.30
ATM Q13315 1/20 0.30

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
SCHEMBL566236 0.87 CA1 (0.38) CA1CA2ORAI1ITGB1ITGA4
SCHEMBL472308 0.85 CA1 (0.33) CA1CA2RECQLF10
SCHEMBL10155877 0.85 CA1 (0.40) CA1CA2ORAI1ITGB1ITGA4
SCHEMBL566200 0.84 RECQL (0.38) CA1CA2ORAI1RECQLPOLB
SCHEMBL472587 0.84 CA1 (0.39) CA1CA2ORAI1ITGB1ITGA4
SCHEMBL472628 0.83 CA1 (0.36) CA1CA2ORAI1RECQLKDM4E
SCHEMBL472650 0.83 CA1 (0.39) CA1CA2ORAI1ITGB1ITGA4
SCHEMBL472656 0.82 CA1 (0.40) CA1CA2ORAI1ITGB1ITGA4
SCHEMBL472678 0.82 CA1 (0.36) CA1CA2RECQLKDM4E
SCHEMBL472692 0.82 CA1 (0.37) CA1CA2ORAI1RECQLF2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130131115-A1 PEST CONTROL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-05-23 US disclosed
US-20130131117-A1 PEST CONTROL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-05-23 US disclosed
US-20120035218-A1 PEST CONTROL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-09 US disclosed
US-20120029038-A1 ANIMAL ECTOPARASITE-CONTROLLING AGENT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-02 US disclosed
US-20120029037-A1 ANIMAL ECTOPARASITE-CONTROLLING AGENT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-02 US disclosed
EP-2412239-A1 Animal ectoparasite-controlling agent Sumitomo Chemical Company, Limited (JP) 2012-02-01 EP disclosed
EP-2412240-A1 Animal ectoparasite-controlling agent Sumitomo Chemical Company, Limited (JP) 2012-02-01 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 (5 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-20130131115-A1 PEST CONTROL COMPOSITION HRH2, HRH4, HRH1 CA1 1176/4885CA2 1092/4885ORAI1 2692/4885
US-20120029037-A1 ANIMAL ECTOPARASITE-CONTROLLING AGENT H1-3, EEF1A1, H1-4 CA1 866/4885CA2 735/4885ORAI1 4040/4885
US-20120029038-A1 ANIMAL ECTOPARASITE-CONTROLLING AGENT H1-3, HRH4, EEF1A1 CA1 1006/4885CA2 636/4885ORAI1 3970/4885
US-20130131117-A1 PEST CONTROL COMPOSITION H1-4, H1-0, H1-2 CA1 1266/4885CA2 1302/4885ORAI1 3750/4885
US-20120035218-A1 PEST CONTROL COMPOSITION CTRL, CYP4F3, CYP4B1 CA1 1471/4885CA2 1171/4885ORAI1 4242/4885

“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.