SCHEMBL10097172

SCHEMBL10097172

Cc1ccc(S(=O)(=O)OC23C=C(F)C(C45CCC(C6CCC(C)CC6)(CC4)CC5)(CC2)CC3)cc1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32

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
SCHEMBL10098030 0.91 CYP2D6 (0.31) CYP1A2CYP2D6
SCHEMBL10097166 0.82 KMT2A (0.33)
SCHEMBL10097203 0.82 CYP1A2 (0.32) CYP1A2CYP2D6
SCHEMBL10097169 0.80 CYP2D6 (0.36) CYP1A2CYP2D6
SCHEMBL10096997 0.74 CYP1A2 (0.32) CYP1A2CYP2D6
SCHEMBL10097138 0.73 SMN1; SMN2 (0.38) CYP1A2CYP2D6
SCHEMBL10098156 0.73 CYP2D6 (0.32) CYP1A2CYP2D6
SCHEMBL10096956 0.73 CYP1A2 (0.31) CYP1A2CYP2D6
SCHEMBL10098208 0.71 KMT2A (0.36) CYP2D6
SCHEMBL10098018 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124196-B2 Fluorobicyclo[2.2.2]octane compound, method of producing the same, and applications thereof FUJIFILM CORPORATION (JP) 2012-02-28 US disclosed
US-20100231844-A1 FLUOROBICYCLO[2.2.2]OCTANE COMPOUND, METHOD OF PRODUCING THE SAME, AND APPLICATIONS THEREOF FUJIFILM CORPORATION (JP) 2010-09-16 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-20100231844-A1 FLUOROBICYCLO[2.2.2]OCTANE COMPOUND, METHOD OF PRODUCING THE SAME, AND APPLICATIONS THEREOF AFF2, FPR2, SLCO1A2 CYP1A2 130/4885CYP2D6 473/4885

“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.