SCHEMBL3387265

SCHEMBL3387265

NCC=Cc1cccc([S+]([O-])CC2CCCC2)c1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 1/20 0.35
TLR2 O60603 1/20 0.35
ALDH1A1 P00352 1/20 0.33
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL3387259 1.00 TLR4 (0.35) TLR4TLR2ALDH1A1KDM4E
SCHEMBL3388474 0.99 TLR4 (0.37) TLR4TLR2ALDH1A1KDM4E
SCHEMBL3388478 0.99 TLR4 (0.37) TLR4TLR2ALDH1A1KDM4E
SCHEMBL3385937 0.78 ALDH1A1 (0.37) TLR4TLR2ALDH1A1
SCHEMBL3385943 0.78 ALDH1A1 (0.37) TLR4TLR2ALDH1A1
SCHEMBL3389935 0.77 ALDH1A1 (0.39) TLR4TLR2ALDH1A1
SCHEMBL3389932 0.77 ALDH1A1 (0.39) TLR4TLR2ALDH1A1
SCHEMBL1710563 0.77 TLR4 (0.34) TLR4TLR2ALDH1A1
SCHEMBL1710562 0.77 TLR4 (0.34) TLR4TLR2ALDH1A1
SCHEMBL13459844 0.76 PRMT6 (0.36)

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-20100093865-A1 SULPHUR-LINKED COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2010-04-15 US disclosed

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-20100093865-A1 SULPHUR-LINKED COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ALDH1A2, MPST, CLN6 TLR4 947/4885TLR2 2090/4885ALDH1A1 314/4885

“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.