SCHEMBL7093841

SCHEMBL7093841

C#CC(CF)(CF)OS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.38
GAA P10253 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CA2 P00918 4/20 0.36
CA1 P00915 3/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
MMP13 P45452 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
VDR P11473 1/20 0.36
CA12 O43570 2/20 0.35
CA3 P07451 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35

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
SCHEMBL7096208 0.84 ALDH1A1 (0.37) ALDH1A1CA2CA1MMP1MMP2
SCHEMBL7093808 0.84 ALDH1A1 (0.34) ALDH1A1SMN1; SMN2CA2CA1MMP1
SCHEMBL4127587 0.80 ALDH1A1 (0.43) ALDH1A1GAASMN1; SMN2CA2CA1
SCHEMBL16093288 0.77 ALDH1A1 (0.38) ALDH1A1GAASMN1; SMN2CA2CA1
SCHEMBL1414702 0.77 GAA (0.42) ALDH1A1GAASMN1; SMN2CA2CA1
SCHEMBL27924450 0.77 ALDH1A1 (0.42) ALDH1A1GAASMN1; SMN2CA2CA1
SCHEMBL20018088 0.76 CA1 (0.43) ALDH1A1GAASMN1; SMN2CA2CA1
SCHEMBL15963902 0.73 ALDH1A1 (0.46) ALDH1A1GAASMN1; SMN2CA2CA1
SCHEMBL24667422 0.72 GAA (0.48) ALDH1A1GAASMN1; SMN2CA2CA1
SCHEMBL1472888 0.72 GAA (0.48) ALDH1A1GAASMN1; SMN2CA2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030065189-A1 Processes for producing 4-substituted benzopyran derivatives CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-04-03 US disclosed
US-6455708-B1 SUCH AS 2,2-BIS(FLUOROMETHYL)-N-(2-CYANOETHYL)-6-TRIFLUOROMETHYL-2H-1-BENZOPYRAN-4 -CARBOXAMIDE; USEFUL AS MEDICINES, AGRICHEMICALS AND COSMETICS, AND CHEMICAL INTERMEDIATES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-09-24 US disclosed
EP-1120412-A1 PROCESSES FOR THE PREPARATION OF 4-SUBSTITUTED BENZOPYRAN DERIVATIVES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2001-08-01 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 (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-20030065189-A1 Processes for producing 4-substituted benzopyran derivatives CYP3A4, PARP14, BTD ALDH1A1 1038/4885GAA 825/4885SMN1; SMN2 1765/4885

“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.