SCHEMBL3779225

SCHEMBL3779225

Cc1ccc([S+]([O-])N2CCCC(F)C2)cc1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
HRH3 Q9Y5N1 2/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL3785187 0.92 CYP1A2 (0.33) CYP1A2CYP2D6
SCHEMBL3784221 0.92 CYP1A2 (0.33) CYP1A2CYP2D6
SCHEMBL3778462 0.86 ATM (0.35) SMN1; SMN2
SCHEMBL3785904 0.85 DPP4 (0.33)
SCHEMBL3776875 0.85 DPP7 (0.36) SMN1; SMN2
SCHEMBL3771733 0.84 HPGD (0.31) CYP1A2CYP2D6SMN1; SMN2
SCHEMBL3780827 0.84 HSD11B1 (0.36)
SCHEMBL3781704 0.84
SCHEMBL13840397 0.83 HPGD (0.41) HRH3SMN1; SMN2
SCHEMBL3780104 0.82 CYP1A2 (0.32) CYP1A2CYP2D6

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 CYP1A2 1113/4885CYP2D6 411/4885HRH3 3003/4885

“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.