SCHEMBL4166989

SCHEMBL4166989

O=S(=O)(c1cc[c]cc1)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CA1 P00915 13/20 0.33
CA2 P00918 13/20 0.33
LMNA P02545 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL776908 0.79 HTR6 (0.42) CA1CA2SMN1; SMN2
SCHEMBL385126 0.79 LMNA (0.46) LMNAMAPK1HTTSMN1; SMN2
SCHEMBL8849931 0.78 HSD11B1 (0.43) CA1CA2
SCHEMBL9694727 0.76 CA1 (0.37) CA1CA2LMNAMAPK1HTT
SCHEMBL777838 0.73 CA2 (0.44) CA1CA2SMN1; SMN2
SCHEMBL9303979 0.72 CA2 (0.50) CA1CA2LMNA
SCHEMBL9270354 0.71 CA2 (0.45) CA1CA2
SCHEMBL13893253 0.71 CA1 (0.44) CA1CA2LMNASMN1; SMN2
SCHEMBL9457858 0.71 CA2 (0.45) CA1CA2
SCHEMBL3193439 0.70 ALDH1A1 (0.56) LMNASMN1; SMN2

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
EP-0546113-A1 NONLINEAR OPTICAL MATERIALS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-06-16 EP claimed
US-20090233962-A1 Amide derivative and insecticide containing the same MITSUI CHEMICALS, INC. (JP) 2009-09-17 US disclosed
EP-1911751-A1 AMIDE DERIVATIVE AND PESTICIDE CONTAINING SUCH COMPOUND Mitsui Chemicals, Inc. (JP) 2008-04-16 EP disclosed
CN-1705670-A 2, 3-dihydro-6-nitroimidazo [2, 1-b ] oxazole compounds OTSUKA PHARMA CO LTD (JP) 2005-12-07 CN disclosed
US-5312930-A Useful in optical devices requiring second harmonic generation E. I. DU PONT DE NEMOURS AND COMPANY (US) 1994-05-17 US disclosed
EP-0502955-A1 FLUORINATED SULFONES/KETONES FOR NONLINEAR OPTICS. DU PONT (US) 1992-09-16 EP disclosed
WO-1991008198-A1 FLUORINATED SULFONES/KETONES FOR NONLINEAR OPTICS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-06-13 WO 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-20090233962-A1 Amide derivative and insecticide containing the same CYP1A1, CYP4B1, CYP2E1 CA1 2217/4885CA2 924/4885LMNA 2204/4885

“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.