SCHEMBL10097202

SCHEMBL10097202

Cc1ccc(S(=O)(=O)OC23CCC(C4CCC(C5CCC(C)CC5)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
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
EBP Q15125 1/20 0.33
DHCR7 Q9UBM7 1/20 0.33
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
POLB P06746 1/20 0.31
GPR174 Q9BXC1 1/20 0.31
ACHE P22303 1/20 0.31
KMT2A Q03164 1/20 0.31
HPGD P15428 1/20 0.31
CYP3A4 P08684 1/20 0.30
CYP2C19 P33261 1/20 0.30
PSEN1 P49768 2/20 0.30
PSEN2 P49810 2/20 0.30
APH1B Q8WW43 2/20 0.30
NCSTN Q92542 2/20 0.30
APH1A Q96BI3 2/20 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
SCHEMBL10097193 0.96 CYP2D6 (0.34) CYP2D6CYP1A2LMNASMN1; SMN2EBP
SCHEMBL10097169 0.82 CYP2D6 (0.36) CYP2D6CYP1A2LMNASMN1; SMN2EBP
SCHEMBL10097203 0.81 CYP1A2 (0.32) CYP2D6CYP1A2KMT2A
SCHEMBL10097209 0.79 CYP2D6 (0.32) CYP2D6CYP1A2SMN1; SMN2ALDH1A1TP53
SCHEMBL10097217 0.77
SCHEMBL10097184 0.75 SMN1; SMN2 (0.38) CYP2D6CYP1A2LMNASMN1; SMN2ALDH1A1
SCHEMBL10096996 0.74 CYP2D6 (0.34) CYP2D6CYP1A2LMNASMN1; SMN2EBP
SCHEMBL10097982 0.74 KMT2A (0.37) CYP2D6LMNASMN1; SMN2ALDH1A1TP53
SCHEMBL10097204 0.73
SCHEMBL10097196 0.73

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 130/4885LMNA 2238/4885

“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.