SCHEMBL3785897

SCHEMBL3785897

COC(=O)C1CC(F)CN1[S+]([O-])c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 6/20 0.39
KMT2A Q03164 1/20 0.36
ANPEP P15144 1/20 0.36
PEPD P12955 1/20 0.36
XPNPEP1 Q9NQW7 1/20 0.36
CYP1A2 P05177 2/20 0.35
CYP2C19 P33261 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34

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
SCHEMBL3771637 1.00 MMP2 (0.39) MMP2KMT2AANPEPPEPDXPNPEP1
SCHEMBL3784376 0.89 ALDH1A1 (0.41) MMP2KMT2AANPEPPEPDXPNPEP1
SCHEMBL3771641 0.89 MMP1 (0.36) PEPDXPNPEP1SLC6A2SLC6A4SLC6A3
SCHEMBL3785738 0.89 MMP1 (0.36) PEPDXPNPEP1SLC6A2SLC6A4SLC6A3
SCHEMBL3783631 0.89 ALDH1A1 (0.41) MMP2KMT2AANPEPPEPDXPNPEP1
SCHEMBL3780886 0.88 MMP2 (0.41) MMP2KMT2ACYP3A4SLC6A2SLC6A4
SCHEMBL3776866 0.88 MMP2 (0.41) MMP2KMT2ACYP3A4SLC6A2SLC6A4
SCHEMBL3779284 0.88 MMP2 (0.41) MMP2PEPDXPNPEP1SLC6A2SLC6A4
SCHEMBL3781712 0.88 MMP2 (0.41) MMP2PEPDXPNPEP1SLC6A2SLC6A4
SCHEMBL8694493 0.86 CYP1A2 (0.42) MMP2KMT2AANPEPCYP1A2CYP2C19

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 4004/4885KMT2A 3317/4885ANPEP 1790/4885

“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.