SCHEMBL3786069

SCHEMBL3786069

Cc1ccc(S(=O)OC2CCC(F)C2)cc1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
SCN1A P35498 1/20 0.31
SCN2A Q99250 1/20 0.31
SCN3A Q9NY46 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
SCHEMBL3789251 0.91 CYP1A2 (0.32) RECQLCYP1A2CYP2C19ALDH1A1CYP3A4
SCHEMBL3786037 0.90 RECQL (0.35) RECQLCYP1A2CYP2C19ALDH1A1CYP3A4
SCHEMBL3772967 0.86 RIPK1 (0.31)
SCHEMBL3778500 0.84 SMN1; SMN2 (0.33) CYP2C19
SCHEMBL3780189 0.84 PTPRF (0.30)
SCHEMBL3773108 0.84 CHRNA7 (0.30)
SCHEMBL21375528 0.78 RECQL (0.37) RECQLCYP1A2CYP2C19ALDH1A1CYP3A4
SCHEMBL20158888 0.78 MEN1 (0.40) RECQLCYP1A2CYP2C19ALDH1A1CYP3A4
SCHEMBL3778088 0.77 IDO1 (0.30)
SCHEMBL19380327 0.77 MEN1 (0.42) RECQLCYP1A2CYP2C19ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100152463-A1 Methods for Preparing Fluoroalkyl Arylsulfinyl Compounds and Fluorinated Compounds Thereto IM&T RESEARCH, INC. (US) 2010-06-17 US claimed

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-20100152463-A1 Methods for Preparing Fluoroalkyl Arylsulfinyl Compounds and Fluorinated Compounds Thereto PFAS, AGPS, FDPS RECQL 906/4885CYP1A2 1113/4885CYP2C19 1399/4885

“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.