Sugi Predict

Sugi Predict / Compounds / SCHEMBL10097184

SCHEMBL10097184

SCHEMBL10097184

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ GAA P10253 1/20 0.35
▸ ALDH1A1 P00352 4/20 0.34
▸ PKM P14618 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ HTT P42858 2/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ VDR P11473 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ HSP90AA1 P07900 1/20 0.34
▸ XBP1 P17861 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ MPI P34949 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ CYP2D6 P10635 2/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ PTGS2 P35354 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
SCHEMBL10097982 0.84 KMT2A (0.37) SMN1; SMN2KMT2AGAAALDH1A1PKM
SCHEMBL10097192 0.81 KMT2A (0.33) SMN1; SMN2KMT2AGAAALDH1A1PKM
SCHEMBL10097193 0.78 CYP2D6 (0.34) SMN1; SMN2KMT2AALDH1A1LMNACYP2D6
SCHEMBL10097138 0.77 SMN1; SMN2 (0.38) SMN1; SMN2KMT2AGAAALDH1A1PKM
SCHEMBL10097202 0.75 CYP2D6 (0.34) SMN1; SMN2KMT2AALDH1A1LMNACYP2D6
SCHEMBL28798646 0.73 SMN1; SMN2 (0.43) SMN1; SMN2KMT2AGAAALDH1A1PKM
SCHEMBL2341926 0.72 SMN1; SMN2 (0.48) SMN1; SMN2KMT2AGAAALDH1A1PKM
SCHEMBL11332992 0.71 SMN1; SMN2 (0.49) SMN1; SMN2KMT2AGAAALDH1A1PKM
SCHEMBL10611492 0.70 SMN1; SMN2 (0.51) SMN1; SMN2KMT2AGAAALDH1A1PKM
SCHEMBL7056971 0.68 SMN1; SMN2 (0.53) SMN1; SMN2KMT2AGAAALDH1A1PKM

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 SMN1; SMN2 3015/4885KMT2A 2986/4885GAA 4645/4885

“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.