SCHEMBL3785459

SCHEMBL3785459

CC(C)(C)c1ccc([S+]([O-])N2CCC(F)CC2)cc1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
HSD11B1 P28845 11/20 0.34
SIGMAR1 Q99720 1/20 0.33
TP53 P04637 1/20 0.33
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL3778034 0.91 HSD11B1 (0.35) ACHEHTR2AHTR2CLMNAGAA
SCHEMBL3783071 0.91 HSD11B1 (0.35) ACHEHTR2AHTR2CLMNAGAA
SCHEMBL3782520 0.85 HSD11B1 (0.34) ACHEHTR2AHTR2CLMNAGAA
SCHEMBL3780827 0.84 HSD11B1 (0.36) ACHEHTR2AHTR2CLMNAGAA
SCHEMBL3780104 0.81 CYP1A2 (0.32) ACHEHTR2AHTR2CLMNA
SCHEMBL3774487 0.80 ATM (0.36) HTR2AHTR2C
SCHEMBL3776555 0.78 LMNA (0.33) LMNA
SCHEMBL3773093 0.78 DPP4 (0.34)
SCHEMBL14087696 0.78 HSD11B1 (0.39) ACHELMNAGAAHSD11B1TP53
SCHEMBL3779703 0.78 RECQL (0.31)

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 ACHE 1499/4885HTR2A 3082/4885HTR2C 1837/4885

“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.