SCHEMBL10097166

SCHEMBL10097166

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

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 2/20 0.31
HTR6 P50406 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL10097138 0.83 SMN1; SMN2 (0.38) KMT2ASMN1; SMN2ALDH1A1MAPTHPGD
SCHEMBL10097172 0.82 CYP1A2 (0.32)
SCHEMBL10097192 0.79 KMT2A (0.33) KMT2ASMN1; SMN2ALDH1A1HTR6MAPT
SCHEMBL10098208 0.78 KMT2A (0.36) KMT2ASMN1; SMN2ALDH1A1MAPTHPGD
SCHEMBL11717394 0.70 KMT2A (0.41) KMT2ASMN1; SMN2ALDH1A1HTR6MAPT
Methyl Alcohol SCHEMBL11717390 0.70 KMT2A (0.41) KMT2ASMN1; SMN2ALDH1A1HTR6MAPT
SCHEMBL10096965 0.69 KMT2A (0.33) KMT2ASMN1; SMN2ALDH1A1HTR6MAPT
SCHEMBL10097169 0.69 CYP2D6 (0.36) SMN1; SMN2
SCHEMBL10097162 0.68 CYP2D6 (0.33)
SCHEMBL10096924 0.67 HTR6 (0.32) KMT2ASMN1; SMN2HTR6

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 KMT2A 2986/4885SMN1; SMN2 3015/4885ALDH1A1 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.