SCHEMBL3518969

SCHEMBL3518969

Cc1ccc(S(=O)(=O)OCCC2CCC(F)(F)CC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.37
CYP1A2 P05177 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA9 Q16790 1/20 0.37
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
STAT3 P40763 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
GPR119 Q8TDV5 1/20 0.34
CRBN Q96SW2 1/20 0.34
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
HTR6 P50406 1/20 0.33
CYP24A1 Q07973 1/20 0.33
ACHE P22303 1/20 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
SCHEMBL2486679 0.92 CYP2D6 (0.36) CYP2D6CYP1A2CA12CA1CA9
SCHEMBL244134 0.87 CYP2D6 (0.43) CYP2D6CYP1A2CA12CA1CA9
SCHEMBL16797552 0.86 CA12 (0.38) CYP2D6CYP1A2CA12CA1CA9
SCHEMBL962353 0.86 CYP2D6 (0.39) CYP2D6CYP1A2KMT2ASMN1; SMN2ALDH1A1
SCHEMBL336340 0.84 ALDH1A1 (0.44) CYP2D6CYP1A2CA12CA1CA9
SCHEMBL334939 0.84 ACHE (0.44) CYP2D6CYP1A2CA12CA1CA9
SCHEMBL967917 0.83 ALDH1A1 (0.43) CA12CA1CA9ALDH1A1CYP3A4
SCHEMBL16104743 0.83 KMT2A (0.37) CYP2D6CYP1A2CA12CA1CA9
SCHEMBL7026133 0.82 ALDH1A1 (0.46) CYP2D6CYP1A2CA12CA1CA9
SCHEMBL18372671 0.81 CYP2D6 (0.37) CYP2D6CYP1A2KMT2ASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100292255-A1 Therapeutic Compounds and Their Use in Treating Diseases and Disorders MYRIAD PHARMACEUTICALS, INC. (US) 2010-11-18 US disclosed
US-20100292255-A1 Therapeutic Compounds and Their Use in Treating Diseases and Disorders MYRIAD PHARMACEUTICALS, INC. (US) 2010-11-18 US disclosed
US-20100292255-A1 Therapeutic Compounds and Their Use in Treating Diseases and Disorders MYRIAD PHARMACEUTICALS, INC. (US) 2010-11-18 US disclosed
EP-2219448-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN TREATING DISEASES AND DISORDERS Myriad Pharmaceuticals, Inc. (US) 2010-08-25 EP disclosed
WO-2009065035-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN TREATING DISEASES AND DISORDERS MYRIAD GENETICS, INC. (US) 2009-05-22 WO disclosed
WO-2009065035-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN TREATING DISEASES AND DISORDERS MYRIAD GENETICS, INC. (US) 2009-05-22 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-20100292255-A1 Therapeutic Compounds and Their Use in Treating Diseases and Disorders VHL, CLN6, CFTR CYP2D6 2642/4885CYP1A2 2491/4885CA12 1061/4885

“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.