SCHEMBL3786135

SCHEMBL3786135

COC(=O)C1CC(F)CN1[S+]([O-])c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.46
ANPEP P15144 1/20 0.46
MAPT P10636 3/20 0.43
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
DPP4 P27487 1/20 0.35
FAP Q12884 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
AGTR2 P50052 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
SCHEMBL3785624 1.00 MMP2 (0.46) MMP2ANPEPMAPTALDH1A1SMN1; SMN2
SCHEMBL3783631 0.86 ALDH1A1 (0.41) MMP2ANPEPALDH1A1
SCHEMBL3785738 0.86 MMP1 (0.36) DPP4DPP7
SCHEMBL3784376 0.86 ALDH1A1 (0.41) MMP2ANPEPALDH1A1
SCHEMBL3771641 0.86 MMP1 (0.36) DPP4DPP7
SCHEMBL3779284 0.85 MMP2 (0.41) MMP2ALDH1A1SMN1; SMN2
SCHEMBL3776866 0.85 MMP2 (0.41) MMP2ALDH1A1POLB
SCHEMBL3780886 0.85 MMP2 (0.41) MMP2ALDH1A1POLB
SCHEMBL3781712 0.85 MMP2 (0.41) MMP2ALDH1A1SMN1; SMN2
SCHEMBL3771637 0.84 MMP2 (0.39) MMP2ANPEP

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 MMP2 4004/4885ANPEP 1790/4885MAPT 4553/4885

“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.