SCHEMBL3784012

SCHEMBL3784012

O=[N+]([O-])c1ccc([S+]([O-])N2CC[C@@H](F)C2)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.39
MAPT P10636 6/20 0.37
ALDH1A1 P00352 5/20 0.37
HPGD P15428 1/20 0.37
LMNA P02545 3/20 0.36
SIRT6 Q8N6T7 2/20 0.36
GAA P10253 2/20 0.36
KCNJ1 P48048 2/20 0.36
KCNH2 Q12809 2/20 0.36
ADRB1 P08588 1/20 0.36
MAPK1 P28482 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD11B1 P28845 1/20 0.35
ACHE P22303 1/20 0.35

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
SCHEMBL3787757 1.00 POLB (0.39) POLBMAPTALDH1A1HPGDLMNA
SCHEMBL3780160 0.93 MAPT (0.38) POLBMAPTALDH1A1HPGDLMNA
SCHEMBL3783104 0.91 POLB (0.41) POLBMAPTALDH1A1HPGDLMNA
SCHEMBL3786743 0.89 POLB (0.38) POLBMAPTALDH1A1LMNASIRT6
SCHEMBL3783623 0.80 DPP4 (0.35) MAPTALDH1A1KCNH2
SCHEMBL3788604 0.78 DPP4 (0.38)
SCHEMBL3776684 0.78 DPP7 (0.34) POLBLMNA
SCHEMBL18583237 0.78 MAPT (0.51) POLBMAPTALDH1A1LMNASIRT6
SCHEMBL3780842 0.78 DPP4 (0.32)
SCHEMBL3783071 0.75 HSD11B1 (0.35) LMNAGAAMEN1KMT2AHSD11B1

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 POLB 404/4885MAPT 4553/4885ALDH1A1 1367/4885

“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.