SCHEMBL3774487

SCHEMBL3774487

[O-][S+](c1ccc(F)cc1)N1CCC(F)CC1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.36
TRPA1 O75762 1/20 0.31
DPP4 P27487 1/20 0.31
KCNH2 Q12809 1/20 0.31
DPP8 Q6V1X1 1/20 0.31
DPP9 Q86TI2 1/20 0.31
DPP7 Q9UHL4 1/20 0.31
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 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
SCHEMBL3783623 0.89 DPP4 (0.35) ATMDPP4KCNH2DPP8DPP9
SCHEMBL3780172 0.89 DPP4 (0.35) ATMDPP4KCNH2DPP8DPP9
SCHEMBL3780104 0.84 CYP1A2 (0.32) HTR2AHTR2C
SCHEMBL3776555 0.84 LMNA (0.33) DPP4DPP7
SCHEMBL3773093 0.84 DPP4 (0.34) DPP4DPP7
SCHEMBL3779703 0.83 RECQL (0.31)
SCHEMBL3786054 0.83 ATM (0.33) ATM
SCHEMBL3778462 0.82 ATM (0.35) ATMTRPA1DPP4KCNH2DPP8
SCHEMBL3785459 0.80 ACHE (0.35) HTR2AHTR2C
SCHEMBL3783104 0.78 POLB (0.41) KCNH2

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 ATM 2413/4885TRPA1 3618/4885DPP4 2460/4885

“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.