SCHEMBL17529628

SCHEMBL17529628

FC(F)(F)Oc1c[c]c(Cl)c(Cl)c1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AKR1C2 P52895 1/20 0.33
AKR1C1 Q04828 1/20 0.33
GPR3 P46089 1/20 0.32
NOTUM Q6P988 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
MRGPRX4 Q96LA9 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
SCHEMBL2351365 0.72 ALDH1A1 (0.38)
SCHEMBL342267 0.72 ALDH1A1 (0.44) AKR1C2AKR1C1GPR3NOTUMFFAR4
SCHEMBL7928085 0.72 ALDH1A1 (0.39) AKR1C2AKR1C1GPR3NOTUMFFAR4
SCHEMBL900592 0.71 NOTUM (0.36) AKR1C2AKR1C1GPR3NOTUMFFAR4
SCHEMBL11274922 0.70 GPR3 (0.36) AKR1C2AKR1C1GPR3NOTUMFFAR4
SCHEMBL1040929 0.70 GPR3 (0.41) AKR1C2AKR1C1GPR3NOTUMFFAR4
SCHEMBL17529619 0.69 NOTUM (0.32) NOTUM
SCHEMBL17529609 0.69 GPR3 (0.35) GPR3
SCHEMBL158565 0.69 GPR3 (0.37) AKR1C2AKR1C1GPR3NOTUM
SCHEMBL497707 0.69 GPR3 (0.39) GPR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2990404-B1 TETRAZOLINONE COMPOUND AND USE OF SAME SUMITOMO CHEMICAL CO (JP) 2020-05-27 EP disclosed
EP-3029030-B1 TETRAZOLINONE COMPOUND, AND USE THEREFOR SUMITOMO CHEMICAL CO (JP) 2019-09-04 EP disclosed
US-9867372-B2 Tetrazolinone compound and use of same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-01-16 US disclosed
US-9512090-B2 Tetrazolinone compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-12-06 US disclosed
US-20160159755-A1 TETRAZOLINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-06-09 US disclosed
EP-3029030-A1 TETRAZOLINONE COMPOUND, AND USE THEREFOR Sumitomo Chemical Company, Limited (JP) 2016-06-08 EP disclosed
US-20160081339-A1 TETRAZOLINONE COMPOUND AND USE OF SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-03-24 US disclosed
EP-2990404-A1 TETRAZOLINONE COMPOUND AND USE OF SAME Sumitomo Chemical Company Limited (JP) 2016-03-02 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 (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-20160159755-A1 TETRAZOLINONE COMPOUND AND USE THEREOF CYP1A1, CASP1, TCOF1 AKR1C2 760/4885AKR1C1 500/4885GPR3 817/4885
US-20160081339-A1 TETRAZOLINONE COMPOUND AND USE OF SAME MT-CO1, SOD1, MT-CO2 AKR1C2 668/4885AKR1C1 530/4885GPR3 1907/4885

“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.