SCHEMBL3388475

SCHEMBL3388475

CCCC(CCC)C[S+]([O-])c1cccc(/C=C/CNC(=O)C(F)(F)F)c1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.30
TAS1R1 Q7RTX1 1/20 0.30

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
SCHEMBL3388480 1.00 ALDH1A1 (0.33) ALDH1A1TAS1R3TAS1R1
SCHEMBL13400302 0.85 EPHX1 (0.34) ALDH1A1
SCHEMBL3385937 0.79 ALDH1A1 (0.37) ALDH1A1
SCHEMBL3385943 0.79 ALDH1A1 (0.37) ALDH1A1
SCHEMBL3389935 0.78 ALDH1A1 (0.39) ALDH1A1
SCHEMBL3389932 0.78 ALDH1A1 (0.39) ALDH1A1
SCHEMBL3387918 0.78 GAA (0.34) ALDH1A1TAS1R3TAS1R1
SCHEMBL3387914 0.78 GAA (0.34) ALDH1A1TAS1R3TAS1R1
SCHEMBL3389437 0.77 ALDH1A1 (0.30) ALDH1A1
SCHEMBL3389431 0.77 ALDH1A1 (0.30) ALDH1A1

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 ALDH1A1 314/4885TAS1R3 170/4885TAS1R1 197/4885

“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.