SCHEMBL3780104

SCHEMBL3780104

Cc1ccc([S+]([O-])N2CCC(F)CC2)cc1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
NPSR1 Q6W5P4 2/20 0.31
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
ACHE P22303 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
PKM P14618 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
SCHEMBL3785187 0.90 CYP1A2 (0.33) CYP1A2CYP2D6
SCHEMBL3784221 0.90 CYP1A2 (0.33) CYP1A2CYP2D6
SCHEMBL3781704 0.84
SCHEMBL3774487 0.84 ATM (0.36) HTR2AHTR2C
SCHEMBL3779225 0.82 CYP1A2 (0.31) CYP1A2CYP2D6
SCHEMBL3776555 0.82 LMNA (0.33) LMNA
SCHEMBL3773093 0.82 DPP4 (0.34)
SCHEMBL3779703 0.81 RECQL (0.31)
SCHEMBL3785459 0.81 ACHE (0.35) HTR2AHTR2CACHELMNA
SCHEMBL23554865 0.81 PKM (0.40) ACHELMNAMAPTTDP1PKM

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 411/4885NPSR1 2665/4885

“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.