SCHEMBL10097193

SCHEMBL10097193

Cc1ccc(S(=O)(=O)OC23CCC(C4CCC(C)CC4)(CC2)C(F)=C3F)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.34
CYP1A2 P05177 1/20 0.34
ALDH1A1 P00352 3/20 0.33
POLB P06746 2/20 0.33
TP53 P04637 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ACHE P22303 1/20 0.33
KMT2A Q03164 1/20 0.33
HPGD P15428 1/20 0.32
EBP Q15125 1/20 0.32
DHCR7 Q9UBM7 1/20 0.32
STS P08842 1/20 0.31
ENPP3 O14638 2/20 0.31
ENPP1 P22413 2/20 0.31
ENPP2 Q13822 2/20 0.31
HTR6 P50406 1/20 0.31
GPR174 Q9BXC1 1/20 0.30
CYP3A4 P08684 1/20 0.30
TSHR P16473 1/20 0.30
LMNA P02545 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
SCHEMBL10097202 0.96 CYP2D6 (0.34) CYP2D6CYP1A2ALDH1A1POLBTP53
SCHEMBL10097203 0.83 CYP1A2 (0.32) CYP2D6CYP1A2KMT2A
SCHEMBL10097209 0.81 CYP2D6 (0.32) CYP2D6CYP1A2ALDH1A1POLBTP53
SCHEMBL10097169 0.78 CYP2D6 (0.36) CYP2D6CYP1A2SMN1; SMN2EBPDHCR7
SCHEMBL10097184 0.78 SMN1; SMN2 (0.38) CYP2D6CYP1A2ALDH1A1POLBTP53
SCHEMBL10097982 0.77 KMT2A (0.37) CYP2D6ALDH1A1POLBTP53SMN1; SMN2
SCHEMBL10097196 0.76
SCHEMBL10098156 0.74 CYP2D6 (0.32) CYP2D6CYP1A2ALDH1A1POLBTP53
SCHEMBL10097217 0.72
SCHEMBL10096975 0.72 CYP2D6 (0.33) CYP2D6CYP1A2ALDH1A1POLBTP53

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-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-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
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 CYP2D6 473/4885CYP1A2 130/4885ALDH1A1 2560/4885

“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.