SCHEMBL5658014

SCHEMBL5658014

CC(=O)c1cc(-c2cc(/C=C3/SC(=O)NC3=O)ccc2OC(F)(F)F)c2c(c1)C(C)(C)CO2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.51
SCN9A Q15858 1/20 0.49
PIM1 P11309 6/20 0.45
PIM2 Q9P1W9 5/20 0.45
ESRRA P11474 3/20 0.42
CYP3A4 P08684 2/20 0.42
PIM3 Q86V86 2/20 0.41
PDE4B Q07343 1/20 0.41
HPGD P15428 4/20 0.41
TTR P02766 1/20 0.40
CISD1 Q9NZ45 1/20 0.40
GSK3B P49841 3/20 0.40
CDC7 O00311 1/20 0.40
DAPK3 O43293 1/20 0.40
DYRK3 O43781 1/20 0.40
MAP4K4 O95819 1/20 0.40
PHKG2 P15735 1/20 0.40
RPS6KB1 P23443 1/20 0.40
CSNK1D P48730 1/20 0.40
CLK2 P49760 1/20 0.40

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
SCHEMBL14572383 1.00 RXRA (0.51) RXRASCN9APIM1PIM2ESRRA
SCHEMBL5658018 1.00 RXRA (0.51) RXRASCN9APIM1PIM2ESRRA
SCHEMBL5658345 0.93 RXRA (0.51) RXRASCN9APIM1PIM2ESRRA
SCHEMBL14572379 0.93 RXRA (0.51) RXRASCN9APIM1PIM2ESRRA
SCHEMBL5658341 0.93 RXRA (0.51) RXRASCN9APIM1PIM2ESRRA
SCHEMBL5658183 0.92 ESRRA (0.50) RXRASCN9APIM1PIM2ESRRA
SCHEMBL5658187 0.92 ESRRA (0.50) RXRASCN9APIM1PIM2ESRRA
SCHEMBL14572375 0.92 ESRRA (0.50) RXRASCN9APIM1PIM2ESRRA
SCHEMBL5658373 0.91 RXRA (0.49) RXRASCN9APIM1PIM2ESRRA
SCHEMBL14572372 0.91 RXRA (0.53) RXRASCN9APIM1PIM2ESRRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1487446-A4 BICYCLIC HETEROCYCLES FOR THE TREATMENT OF DIABETES AND OTHER DISEASES INCYTE SAN DIEGO INC (US) 2006-04-19 EP claimed
EP-1487446-A2 BICYCLIC HETEROCYCLES FOR THE TREATMENT OF DIABETES AND OTHER DISEASES Incyte San Diego, Inc. (US) 2004-12-22 EP claimed
US-20040034004-A1 Bicyclic heterocycles for the treatment of diabetes and other diseases ORTHO MCNEIL PHARMACEUTICAL INC. 2004-02-19 US claimed
WO-2003075858-A2 BICYCLIC HETEROCYCLES FOR THE TREATMENT OF DIABETES AND OTHER DISEASES INCYTE SAN DIEGO INCORPORATED (US) 2003-09-18 WO claimed
US-7196108-B2 Bicyclic heterocycles for the treatment of diabetes and other diseases INCYTE SAN DIEGO INC. (US) 2007-03-27 US disclosed
EP-1487446-A4 BICYCLIC HETEROCYCLES FOR THE TREATMENT OF DIABETES AND OTHER DISEASES INCYTE SAN DIEGO INC (US) 2006-04-19 EP disclosed
EP-1487446-A2 BICYCLIC HETEROCYCLES FOR THE TREATMENT OF DIABETES AND OTHER DISEASES Incyte San Diego, Inc. (US) 2004-12-22 EP disclosed
US-20040034004-A1 Bicyclic heterocycles for the treatment of diabetes and other diseases ORTHO MCNEIL PHARMACEUTICAL INC. 2004-02-19 US disclosed
WO-2003075858-A2 BICYCLIC HETEROCYCLES FOR THE TREATMENT OF DIABETES AND OTHER DISEASES INCYTE SAN DIEGO INCORPORATED (US) 2003-09-18 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 (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-20040034004-A1 Bicyclic heterocycles for the treatment of diabetes and other diseases PC, CYP27A1, GPR119 RXRA 1262/4885SCN9A 4099/4885PIM1 2592/4885

“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.