SCHEMBL3780271

SCHEMBL3780271

N#CC1CC(F)CN1[S+]([O-])c1ccc(Br)cc1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 19/20 0.43
PREP P48147 1/20 0.33
DPP8 Q6V1X1 12/20 0.32
DPP9 Q86TI2 12/20 0.32
FAP Q12884 11/20 0.32
DPP7 Q9UHL4 8/20 0.32
CYP3A4 P08684 1/20 0.31
KCNH2 Q12809 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
SCHEMBL3785894 1.00 DPP4 (0.43) DPP4PREPDPP8DPP9FAP
SCHEMBL3780177 0.87 DPP4 (0.43) DPP4PREPDPP8DPP9FAP
SCHEMBL3786066 0.87 DPP4 (0.43) DPP4PREPDPP8DPP9FAP
SCHEMBL3776582 0.86 DPP4 (0.43) DPP4PREPDPP8DPP9FAP
SCHEMBL3785893 0.86 DPP4 (0.43) DPP4PREPDPP8DPP9FAP
SCHEMBL3784219 0.86 DPP4 (0.43) DPP4PREPDPP8DPP9FAP
SCHEMBL3786034 0.86 DPP4 (0.43) DPP4PREPDPP8DPP9FAP
SCHEMBL3773554 0.86 DPP4 (0.41) DPP4PREPDPP8DPP9FAP
SCHEMBL3786134 0.86 DPP4 (0.41) DPP4PREPDPP8DPP9FAP
SCHEMBL3783756 0.83 DPP4 (0.46) DPP4PREPDPP8DPP9FAP

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 2460/4885PREP 1998/4885DPP8 746/4885

“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.