SCHEMBL1024955

SCHEMBL1024955

CC(C)Oc1cnccc1-c1nc2cc(C(F)(F)F)cnc2o1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 6/20 0.42
GPBAR1 Q8TDU6 3/20 0.39
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TBK1 Q9UHD2 1/20 0.34
CYP1A2 P05177 1/20 0.34
METAP2 P50579 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP3A5 P20815 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
MEN1 O00255 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL1023296 0.87 CYP1A2 (0.46) GPBAR1KDM4EALDH1A1LMNAPOLB
SCHEMBL1024560 0.85 NPSR1 (0.40) S1PR1KDM4EALDH1A1LMNAPOLB
SCHEMBL1554514 0.85 ALDH1A1 (0.36) S1PR1GPBAR1KDM4EALDH1A1LMNA
SCHEMBL4544565 0.85 S1PR1 (0.39) S1PR1TBK1SGMS2
SCHEMBL1025848 0.84 AGPAT2 (0.45) GPBAR1KDM4EALDH1A1POLBHPGD
SCHEMBL12693240 0.84 PTGS2 (0.36) GPBAR1KDM4EALDH1A1LMNAPOLB
SCHEMBL1026375 0.83 SGMS2 (0.34) S1PR1KDM4EALDH1A1LMNAPOLB
SCHEMBL1025360 0.81 S1PR1 (0.46) S1PR1GPBAR1KDM4EALDH1A1CYP1A2
SCHEMBL1025838 0.80 TRPV1 (0.39) S1PR1KDM4EALDH1A1MEN1RAB9A
SCHEMBL1027787 0.80 CYP1A2 (0.41) S1PR1GPBAR1ALDH1A1CYP1A2METAP2

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2274983-B1 HARMFUL ARTHROPOD CONTROL COMPOSITION, AND FUSED HETEROCYCLIC COMPOUND SUMITOMO CHEMICAL CO (JP) 2017-05-31 EP disclosed
US-8609705-B2 Fused heterocyclic compounds, and compositions thereof, for use in arthropod pest control SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-12-17 US disclosed
US-20130190271-A1 FUSED HETEROCYCLIC COMPOUNDS AND USES THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-07-25 US disclosed
US-20130190271-A1 FUSED HETEROCYCLIC COMPOUNDS AND USES THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-07-25 US disclosed
US-8445522-B2 Substituted 2-(4-pyridyl)benzoxazoles, and compositions thereof, for use in arthropod pest control SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-05-21 US disclosed
US-8445522-B2 Substituted 2-(4-pyridyl)benzoxazoles, and compositions thereof, for use in arthropod pest control SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-05-21 US disclosed
US-8324387-B2 Substituted Oxazolo[5,4-b]pyridines SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-12-04 US disclosed
US-8324387-B2 Substituted Oxazolo[5,4-b]pyridines SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-12-04 US disclosed
US-20120264750-A1 COMPOSITION AND METHOD FOR CONTROLLING ARTHROPOD PESTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-18 US disclosed
US-20120264750-A1 COMPOSITION AND METHOD FOR CONTROLLING ARTHROPOD PESTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-18 US disclosed
US-20120108586-A1 ARTHROPOD PEST CONTROL METHOD AND COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-05-03 US disclosed
WO-2011049221-A1 COMPOSITION AND METHOD FOR CONTROLLING ARTHROPOD PESTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-04-28 WO disclosed
WO-2011049221-A1 COMPOSITION AND METHOD FOR CONTROLLING ARTHROPOD PESTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-04-28 WO disclosed
WO-2011049222-A1 COMPOSITION AND METHOD FOR CONTROLLING ARTHROPOD PESTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-04-28 WO disclosed
WO-2011049220-A1 COMPOSITION AND METHOD FOR CONTROLLING ARTHROPOD PESTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-04-28 WO disclosed
WO-2011049223-A1 COMPOSITION AND METHOD FOR CONTROLLING ARTHROPOD PESTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-04-28 WO disclosed
WO-2011040629-A1 COMPOSITION AND METHOD FOR CONTROLLING ARTHROPOD PESTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-04-07 WO disclosed
US-20110039843-A1 HARMFUL ARTHROPOD CONTROL COMPOSITION, AND FUSED HETEROCYCLIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-02-17 US disclosed
US-20110039843-A1 HARMFUL ARTHROPOD CONTROL COMPOSITION, AND FUSED HETEROCYCLIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-02-17 US disclosed
EP-2274983-A1 HARMFUL ARTHROPOD CONTROL COMPOSITION, AND FUSED HETEROCYCLIC COMPOUND Sumitomo Chemical Company, Limited (JP) 2011-01-19 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 (4 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-20120108586-A1 ARTHROPOD PEST CONTROL METHOD AND COMPOSITION C5, C1S, C1R S1PR1 2804/4885GPBAR1 3187/4885KDM4E 4018/4885
US-20120264750-A1 COMPOSITION AND METHOD FOR CONTROLLING ARTHROPOD PESTS DDT, ACHE, AADAC S1PR1 3862/4885GPBAR1 4652/4885KDM4E 1309/4885
US-20110039843-A1 HARMFUL ARTHROPOD CONTROL COMPOSITION, AND FUSED HETEROCYCLIC COMPOUND C5, C9, C1S S1PR1 3849/4885GPBAR1 2991/4885KDM4E 4487/4885
US-20130190271-A1 FUSED HETEROCYCLIC COMPOUNDS AND USES THEREOF CYC1, C9, C5 S1PR1 3920/4885GPBAR1 3124/4885KDM4E 4546/4885

“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.