SCHEMBL3387272

SCHEMBL3387272

NCC=Cc1cccc(SCC2CCCCC2)c1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.36
TLR4 O00206 1/20 0.36
TLR2 O60603 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KDM4E B2RXH2 1/20 0.34
CTSK P43235 4/20 0.34
CRBN Q96SW2 1/20 0.32
CTSL P07711 1/20 0.32

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
SCHEMBL3387267 1.00 AR (0.36) ARTLR4TLR2ALDH1A1KDM4E
SCHEMBL3390529 0.99 AR (0.36) ARTLR4TLR2ALDH1A1KDM4E
SCHEMBL3390534 0.99 AR (0.36) ARTLR4TLR2ALDH1A1KDM4E
SCHEMBL13400236 0.81 AR (0.41) ARTLR4TLR2ALDH1A1CTSK
SCHEMBL1722332 0.80 AR (0.42) ARTLR4TLR2ALDH1A1CTSK
SCHEMBL13400246 0.77 ALDH1A1 (0.40) ARALDH1A1CTSKCTSL
SCHEMBL13459364 0.77 AR (0.39) AR
SCHEMBL13432396 0.77 AR (0.39) AR
SCHEMBL3385460 0.76 AR (0.38) AR
SCHEMBL3385464 0.76 AR (0.38) AR

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 AR 4092/4885TLR4 947/4885TLR2 2090/4885

“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.