SCHEMBL5482456

SCHEMBL5482456

COc1ccc2cc(C(O[Si](C)(C)C(C)(C)C)C(=O)c3ccncc3)ccc2c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 6/20 0.43
AKR1C2 P52895 6/20 0.43
PTGS2 P35354 3/20 0.43
PTGS1 P23219 3/20 0.43
TSHR P16473 2/20 0.43
CDC42 P60953 1/20 0.43
RAC1 P63000 1/20 0.43
CYP1A2 P05177 1/20 0.43
SLC22A6 Q4U2R8 1/20 0.43
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
AKR1C1 Q04828 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP26A1 O43174 1/20 0.40
RIOK2 Q9BVS4 1/20 0.40
PIKFYVE Q9Y2I7 1/20 0.40
ALOX5 P09917 2/20 0.39

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
SCHEMBL5483297 0.89 KDM4E (0.44) AKR1C3AKR1C2PTGS2PTGS1TSHR
SCHEMBL7355965 0.78 LTA4H (0.43) PTGS2MAPTL3MBTL1CYP26A1
SCHEMBL2527651 0.75 ALDH1A1 (0.47) CYP1A2LMNAMAPTCYP2C9TDP1
SCHEMBL9298556 0.73 NPSR1 (0.44) TSHRCYP1A2LMNAMAPTCYP2C9
SCHEMBL2660701 0.73 LTA4H (0.43) PTGS2LMNAL3MBTL1CYP26A1ALOX5
SCHEMBL8110660 0.71 CES2 (0.39) AKR1C3AKR1C2
SCHEMBL3735338 0.71 NPSR1 (0.44) AKR1C3AKR1C2PTGS2PTGS1TSHR
SCHEMBL8110197 0.71 CHRNA1 (0.47)
SCHEMBL4828425 0.70 AKR1C3 (0.54) AKR1C3AKR1C2PTGS2PTGS1TSHR
SCHEMBL8111034 0.70 SLC6A2 (0.48) TDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1233769-B1 Imidazole derivatives SMITHKLINE BEECHAM PLC (GB) 2007-12-26 EP disclosed
US-7189745-B1 Compounds SMITHKLINE BEECHAM CORPORATION (US) 2007-03-13 US disclosed
US-20070010534-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2007-01-11 US disclosed
EP-1233769-A4 NOVEL COMPOUNDS SMITHKLINE BEECHAM PLC (GB) 2004-12-29 EP disclosed
EP-1233769-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM PLC (GB) 2002-08-28 EP disclosed
WO-2001037835-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM PLC. (GB) 2001-05-31 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-20070010534-A1 NOVEL COMPOUNDS TIE1, TEK, VEGFA AKR1C3 992/4885AKR1C2 854/4885PTGS2 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.