SCHEMBL4544498

SCHEMBL4544498

CCOc1cnccc1-c1nc2cc3c(cc2o1)C(F)(F)OC3(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.37
S1PR3 Q99500 1/20 0.37
CTSG P08311 2/20 0.35
KLK7 P49862 2/20 0.35
KLK14 Q9P0G3 2/20 0.35
KLK5 Q9Y337 2/20 0.35
NPSR1 Q6W5P4 2/20 0.34
TTR P02766 1/20 0.34
MAPT P10636 7/20 0.33
KDM4E B2RXH2 4/20 0.33
ALDH1A1 P00352 3/20 0.33
HPGD P15428 3/20 0.33
HSD17B10 Q99714 3/20 0.33
MAPK1 P28482 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
PIP4K2A P48426 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
AAK1 Q2M2I8 1/20 0.33
TP53 P04637 2/20 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
SCHEMBL1026787 0.88 AAK1 (0.41) CTSGKLK7KLK14KLK5MAPT
SCHEMBL1024638 0.87 CYP17A1 (0.34) AAK1
SCHEMBL1026065 0.85 AAK1 (0.35) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL1025032 0.83 KDM4E (0.37) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL1024043 0.80 F7 (0.39) NPSR1MAPTKDM4EALDH1A1HPGD
SCHEMBL1024619 0.79 ESR1 (0.39) NPSR1MAPTKDM4EALDH1A1HPGD
SCHEMBL4544464 0.78 HPGD (0.54) S1PR1S1PR3MAPTKDM4EALDH1A1
SCHEMBL4544465 0.78 S1PR1 (0.45) S1PR1S1PR3CTSGKLK7KLK14
SCHEMBL1025727 0.77 AGPAT2 (0.45) S1PR1S1PR3MAPTKDM4EALDH1A1
SCHEMBL4544459 0.76 F2RL3 (0.42) S1PR1S1PR3MAPTKDM4EALDH1A1

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
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-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-20120252804-A1 COMPOSITION AND METHOD FOR CONTROLLING ARTHROPOD PESTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-04 US disclosed
US-20120252803-A1 COMPOSITION AND METHOD FOR CONTROLLING ARTHROPOD PESTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-04 US disclosed
US-20120245167-A1 ARTHROPOD PEST CONTROL METHOD AND COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-09-27 US disclosed
US-20120245159-A1 COMPOSITION AND METHOD FOR CONTROLLING ARTHROPOD PESTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-09-27 US disclosed
US-8242133-B2 Arthropod pest control compositions comprising substituted oxazolo [5,4-b ] pyridines SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-14 US disclosed
US-20120108586-A1 ARTHROPOD PEST CONTROL METHOD AND COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-05-03 US disclosed
US-20110039843-A1 HARMFUL ARTHROPOD CONTROL COMPOSITION, AND FUSED HETEROCYCLIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-02-17 US 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 (8 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-20120245167-A1 ARTHROPOD PEST CONTROL METHOD AND COMPOSITION C5, C1S, C1R S1PR1 2804/4885S1PR3 3317/4885CTSG 2258/4885
US-20120108586-A1 ARTHROPOD PEST CONTROL METHOD AND COMPOSITION C5, C1S, C1R S1PR1 2804/4885S1PR3 3317/4885CTSG 2258/4885
US-20120264750-A1 COMPOSITION AND METHOD FOR CONTROLLING ARTHROPOD PESTS DDT, ACHE, AADAC S1PR1 3862/4885S1PR3 3939/4885CTSG 1350/4885
US-20120245159-A1 COMPOSITION AND METHOD FOR CONTROLLING ARTHROPOD PESTS NISCH, DDT, AADAC S1PR1 4086/4885S1PR3 3583/4885CTSG 1509/4885
US-20110039843-A1 HARMFUL ARTHROPOD CONTROL COMPOSITION, AND FUSED HETEROCYCLIC COMPOUND C5, C9, C1S S1PR1 3849/4885S1PR3 4126/4885CTSG 1299/4885
US-20130190271-A1 FUSED HETEROCYCLIC COMPOUNDS AND USES THEREOF CYC1, C9, C5 S1PR1 3920/4885S1PR3 4135/4885CTSG 1400/4885
US-20120252803-A1 COMPOSITION AND METHOD FOR CONTROLLING ARTHROPOD PESTS DDT, ACHE, AADAC S1PR1 3832/4885S1PR3 2831/4885CTSG 1342/4885
US-20120252804-A1 COMPOSITION AND METHOD FOR CONTROLLING ARTHROPOD PESTS DDT, AADAC, CYP4F3 S1PR1 3369/4885S1PR3 2801/4885CTSG 2313/4885

“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.