SCHEMBL5961594

SCHEMBL5961594

CC(C)(S)c1cc(-c2c(Cl)cc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.46
CYP3A4 P08684 4/20 0.46
ALDH1A1 P00352 2/20 0.46
TSHR P16473 2/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
HIF1A Q16665 1/20 0.46
TXNRD1 Q16881 1/20 0.46
TXNRD3 Q86VQ6 1/20 0.46
TXNRD2 Q9NNW7 1/20 0.46
FGFR4 P22455 1/20 0.39
MEN1 O00255 1/20 0.38
TTR P02766 1/20 0.38
PPOX P50336 1/20 0.38
KMT2A Q03164 1/20 0.38
AR P10275 6/20 0.38
PGR P06401 1/20 0.38
MAPK1 P28482 1/20 0.36
SIRT6 Q8N6T7 1/20 0.36
EPAS1 Q99814 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
SCHEMBL5961593 0.86 TDP1 (0.44) TDP1CYP3A4ALDH1A1TSHRHPGD
SCHEMBL3480508 0.83 TDP1 (0.54) TDP1CYP3A4ALDH1A1TSHRHPGD
SCHEMBL11591390 0.80 TDP1 (0.51) TDP1CYP3A4ALDH1A1TSHRHPGD
SCHEMBL5961600 0.79 GABRP (0.35)
SCHEMBL6405867 0.78 NOTUM (0.34)
SCHEMBL3480527 0.77 TDP1 (0.44) TDP1CYP3A4ALDH1A1TSHRHPGD
SCHEMBL5956429 0.71 CYP3A4 (0.43) TDP1CYP3A4ALDH1A1TSHRHPGD
SCHEMBL29446908 0.70 TDP1 (0.59) TDP1CYP3A4ALDH1A1TSHRHPGD
SCHEMBL6080 0.70 TDP1 (0.59) TDP1CYP3A4ALDH1A1TSHRHPGD
SCHEMBL5961619 0.70 GABRP (0.45) CYP3A4ALDH1A1TSHRHPGDHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7037930-B2 3-arylphenyl sulfide derivative and insecticide and miticide KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2006-05-02 US disclosed
US-20050107383-A1 3-ARYLPHENYL SULFIDE DERIVATIVE AND INSECTICIDE AND MITICIDE KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2005-05-19 US disclosed
US-6858639-B2 3-Arylphenyl sulfide derivative and insecticide and miticide KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2005-02-22 US disclosed
US-6509354-B1 Insecticides and miticides containing the 3-arylphenyl sulfide derivatives as an active ingredient. KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2003-01-21 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 (1 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-20050107383-A1 3-ARYLPHENYL SULFIDE DERIVATIVE AND INSECTICIDE AND MITICIDE CBR3, MSRB3, CYP1B1 TDP1 4572/4885CYP3A4 15/4885ALDH1A1 457/4885

“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.