SCHEMBL5498802

SCHEMBL5498802

COCCOCOc1c(Br)cc(CC(=O)O)cc1C=O

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
THRB P10828 16/20 0.49
THRA P10827 15/20 0.49
PPARG P37231 1/20 0.39
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.35
PPARD Q03181 1/20 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
SCHEMBL1304212 0.89 HSP90AB1 (0.38) THRBTHRAALOX15TSHRHSD17B10
SCHEMBL6688688 0.83 THRA (0.38) THRBTHRA
SCHEMBL1303974 0.81 LMNA (0.34)
SCHEMBL1303735 0.81 LMNA (0.31)
SCHEMBL1302320 0.81 THRB (0.56) THRBTHRAPPARGALOX15TSHR
SCHEMBL1303500 0.80 ALDH1A1 (0.36) TSHRHSD17B10
SCHEMBL2300058 0.79 THRA (0.33) THRBTHRATSHR
SCHEMBL6687092 0.79 IKBKB (0.33) THRBTHRA
SCHEMBL15456516 0.77 LMNA (0.33)
SCHEMBL1303526 0.75 GAA (0.47) THRBTHRATSHRPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9181280-B2 Factor VIIa inhibitor PHARMACYCLICS LLC (US) 2015-11-10 US disclosed
US-20140221667-A1 FACTOR VIIA INHIBITOR PHARMACYCLICS, INC. (US) 2014-08-07 US disclosed
US-8729117-B2 Factor VIIa inhibitor PHARMACYCLICS, INC. (US) 2014-05-20 US disclosed
US-20140080879-A1 FACTOR VIIA INHIBITOR PHARMACYCLICS, INC. (US) 2014-03-20 US disclosed
EP-1761504-A2 FACTOR VIIA INHIBITOR PHARMACYCLICS, INC. (US) 2007-03-14 EP disclosed
WO-2005118554-A2 FACTOR VIIA INHIBITOR PHARMACYCLICS, INC. (US) 2005-12-15 WO disclosed
WO-2004062661-A1 2-‘5-(5-CARBAMIMIDOYL-1H-HETEROARYL)-6-HYDROXYBIPHENYL-3-YL!- CARBOXYLIC ACID DERIVATIVES AS FACTOR VIIA INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-07-29 WO 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 (2 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-20140080879-A1 FACTOR VIIA INHIBITOR F7, F9, F5 THRB 3108/4885THRA 1492/4885PPARG 4620/4885
US-20140221667-A1 FACTOR VIIA INHIBITOR F7, F9, F5 THRB 3108/4885THRA 1492/4885PPARG 4620/4885

“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.