SCHEMBL3779284

SCHEMBL3779284

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

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.41
SLC6A3 Q01959 6/20 0.36
SLC6A4 P31645 5/20 0.36
SLC6A2 P23975 3/20 0.35
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PEPD P12955 1/20 0.34
XPNPEP1 Q9NQW7 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA7 P43166 1/20 0.34
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL3781712 1.00 MMP2 (0.41) MMP2SLC6A3SLC6A4SLC6A2ALDH1A1
SCHEMBL3785738 0.89 MMP1 (0.36) SLC6A3SLC6A4SLC6A2PEPDXPNPEP1
SCHEMBL3783631 0.89 ALDH1A1 (0.41) MMP2SLC6A3SLC6A4SLC6A2ALDH1A1
SCHEMBL3784376 0.89 ALDH1A1 (0.41) MMP2SLC6A3SLC6A4SLC6A2ALDH1A1
SCHEMBL3771641 0.89 MMP1 (0.36) SLC6A3SLC6A4SLC6A2PEPDXPNPEP1
SCHEMBL3776866 0.88 MMP2 (0.41) MMP2SLC6A3SLC6A4SLC6A2ALDH1A1
SCHEMBL3780886 0.88 MMP2 (0.41) MMP2SLC6A3SLC6A4SLC6A2ALDH1A1
SCHEMBL3771637 0.88 MMP2 (0.39) MMP2SLC6A3SLC6A4SLC6A2PEPD
SCHEMBL3785897 0.88 MMP2 (0.39) MMP2SLC6A3SLC6A4SLC6A2PEPD
SCHEMBL3787837 0.86 CYP3A4 (0.40) MMP2SLC6A2ALDH1A1HTTSMN1; SMN2

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 4004/4885SLC6A3 890/4885SLC6A4 822/4885

“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.