SCHEMBL3773530

SCHEMBL3773530

N#C[C@H]1C[C@@H](F)CN1[S+]([O-])c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 11/20 0.49
DPP7 Q9UHL4 7/20 0.49
FAP Q12884 4/20 0.49
DPP8 Q6V1X1 7/20 0.40
PREP P48147 2/20 0.40
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
DPP9 Q86TI2 5/20 0.34
PGR P06401 1/20 0.33
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KCNJ1 P48048 1/20 0.32
KCNH2 Q12809 1/20 0.32
POLB P06746 1/20 0.31

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
SCHEMBL3789246 1.00 DPP4 (0.49) DPP4DPP7FAPDPP8PREP
SCHEMBL3786066 0.83 DPP4 (0.43) DPP4DPP7FAPDPP8PREP
SCHEMBL3780177 0.83 DPP4 (0.43) DPP4DPP7FAPDPP8PREP
SCHEMBL3786034 0.82 DPP4 (0.43) DPP4DPP7FAPDPP8PREP
SCHEMBL3776582 0.82 DPP4 (0.43) DPP4DPP7FAPDPP8PREP
SCHEMBL3773554 0.81 DPP4 (0.41) DPP4DPP7FAPDPP8PREP
SCHEMBL3774499 0.79 DPP4 (0.46) DPP4DPP7FAPDPP8PREP
SCHEMBL3783756 0.79 DPP4 (0.46) DPP4DPP7FAPDPP8PREP
SCHEMBL3785624 0.74 MMP2 (0.46) DPP4DPP7FAPALDH1A1MAPT
SCHEMBL3786135 0.74 MMP2 (0.46) DPP4DPP7FAPALDH1A1MAPT

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 DPP4 2460/4885DPP7 1449/4885FAP 232/4885

“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.