SCHEMBL3786743

SCHEMBL3786743

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA3 P07451 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA13 Q8N1Q1 1/20 0.37
CA14 Q9ULX7 1/20 0.37
CA5B Q9Y2D0 1/20 0.37
MAPT P10636 3/20 0.37
NAMPT P43490 1/20 0.36
ALDH1A1 P00352 3/20 0.36
ACHE P22303 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SIRT6 Q8N6T7 2/20 0.35
LMNA P02545 2/20 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
SCHEMBL3784012 0.89 POLB (0.39) POLBMAPTALDH1A1ACHESIRT6
SCHEMBL3787757 0.89 POLB (0.39) POLBMAPTALDH1A1ACHESIRT6
SCHEMBL3783104 0.86 POLB (0.41) POLBMAPTALDH1A1ACHESIRT6
SCHEMBL3780160 0.86 MAPT (0.38) POLBMAPTALDH1A1ACHELMNA
SCHEMBL18583237 0.78 MAPT (0.51) POLBMAPTALDH1A1SIRT6LMNA
SCHEMBL3776598 0.76 MEN1 (0.30) POLB
SCHEMBL3789246 0.74 DPP4 (0.49) POLBMAPTALDH1A1GAAKCNJ1
SCHEMBL3773530 0.74 DPP4 (0.49) POLBMAPTALDH1A1GAAKCNJ1
SCHEMBL31481111 0.73 POLB (0.59) POLBMAPTALDH1A1SIRT6LMNA
SCHEMBL3785624 0.70 MMP2 (0.46) POLBMAPTALDH1A1LMNA

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 404/4885CA12 4673/4885CA1 4154/4885

“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.