SCHEMBL3784376

SCHEMBL3784376

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

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
MMP2 P08253 5/20 0.39
ANPEP P15144 1/20 0.39
PEPD P12955 1/20 0.35
XPNPEP1 Q9NQW7 1/20 0.35
SLC6A3 Q01959 4/20 0.34
SLC6A2 P23975 3/20 0.34
SLC6A4 P31645 2/20 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
SCHEMBL3783631 1.00 ALDH1A1 (0.41) ALDH1A1KMT2AMMP2ANPEPPEPD
SCHEMBL3785738 0.90 MMP1 (0.36) PEPDXPNPEP1SLC6A3SLC6A2SLC6A4
SCHEMBL3771641 0.90 MMP1 (0.36) PEPDXPNPEP1SLC6A3SLC6A2SLC6A4
SCHEMBL3781712 0.89 MMP2 (0.41) ALDH1A1MMP2PEPDXPNPEP1SLC6A3
SCHEMBL3776866 0.89 MMP2 (0.41) ALDH1A1KMT2AMMP2SLC6A3SLC6A2
SCHEMBL3779284 0.89 MMP2 (0.41) ALDH1A1MMP2PEPDXPNPEP1SLC6A3
SCHEMBL3780886 0.89 MMP2 (0.41) ALDH1A1KMT2AMMP2SLC6A3SLC6A2
SCHEMBL3785897 0.89 MMP2 (0.39) KMT2AMMP2ANPEPPEPDXPNPEP1
SCHEMBL3771637 0.89 MMP2 (0.39) KMT2AMMP2ANPEPPEPDXPNPEP1
SCHEMBL3787837 0.87 CYP3A4 (0.40) ALDH1A1KMT2AMMP2PEPDXPNPEP1

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 ALDH1A1 1367/4885KMT2A 3317/4885MMP2 4004/4885

“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.