SCHEMBL13617819

SCHEMBL13617819

C[C@@H](C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1)[C@H](C[Si](C)(C)C)c1cccc(Br)c1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.42
IL6ST P40189 1/20 0.40
IDH1 O75874 8/20 0.40
AGTR2 P50052 1/20 0.35
LTB4R Q15722 2/20 0.34
LTB4R2 Q9NPC1 2/20 0.34
SLC6A9 P48067 2/20 0.34
NAAA Q02083 2/20 0.34
PPARG P37231 1/20 0.33
MMP2 P08253 1/20 0.33

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
SCHEMBL3753534 0.87 IL6ST (0.45) PPARAIL6STIDH1AGTR2LTB4R
SCHEMBL3753536 0.87 IL6ST (0.45) PPARAIL6STIDH1AGTR2LTB4R
SCHEMBL16294896 0.86 PPARA (0.46) PPARAIL6STIDH1AGTR2LTB4R
SCHEMBL16307092 0.86 PPARA (0.46) PPARAIL6STIDH1AGTR2LTB4R
SCHEMBL17700747 0.86 PPARA (0.46) PPARAIL6STIDH1AGTR2LTB4R
SCHEMBL2754727 0.85 PPARA (0.42) PPARAIL6STIDH1AGTR2LTB4R
SCHEMBL613403 0.85 PPARA (0.42) PPARAIL6STIDH1AGTR2LTB4R
SCHEMBL613402 0.85 PPARA (0.42) PPARAIL6STIDH1AGTR2LTB4R
SCHEMBL24418522 0.78 IL6ST (0.52) PPARAIL6STIDH1AGTR2NAAA
SCHEMBL9554132 0.78 PPARA (0.48) PPARAIL6STIDH1AGTR2NAAA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8076516-B2 Amine derivative compounds for treating ophthalmic diseases and disorders ACUCELA, INC. (US) 2011-12-13 US disclosed
US-8076516-B2 Amine derivative compounds for treating ophthalmic diseases and disorders ACUCELA, INC. (US) 2011-12-13 US disclosed
US-20090281149-A1 Amine Derivative Compounds for Treating Ophthalmic Diseases and Disorders ACUCELA, INC. (US) 2009-11-12 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-20090281149-A1 Amine Derivative Compounds for Treating Ophthalmic Diseases and Disorders PDE6D, CLN6, AADAT PPARA 2018/4885IL6ST 4269/4885IDH1 3982/4885

“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.