SCHEMBL3785904

SCHEMBL3785904

[O-][S+](c1ccc(Br)cc1)N1CCCC(F)C1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.33
TSHR P16473 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
KDM4E B2RXH2 1/20 0.30
DPP7 Q9UHL4 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
SCHEMBL3788604 0.92 DPP4 (0.38) DPP4DPP7
SCHEMBL3778462 0.86 ATM (0.35) DPP4ALDH1A1MAPTKDM4EDPP7
SCHEMBL3779225 0.85 CYP1A2 (0.31)
SCHEMBL3776875 0.85 DPP7 (0.36) DPP4LMNADPP7
SCHEMBL3771733 0.84 HPGD (0.31) ALDH1A1HPGD
SCHEMBL3783625 0.84
SCHEMBL3773093 0.82 DPP4 (0.34) DPP4DPP7
SCHEMBL3780827 0.81 HSD11B1 (0.36) ALDH1A1LMNAMAPT
SCHEMBL3780160 0.80 MAPT (0.38) ALDH1A1LMNAMAPTHPGD
SCHEMBL22340249 0.78 HPGD (0.37) ALDH1A1LMNAHPGD

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 2460/4885TSHR 2367/4885ALDH1A1 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.