SCHEMBL5861822

SCHEMBL5861822

Cc1cc(-c2ccc(C(F)(F)F)cc2F)sc1CO

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.43
ESR2 Q92731 2/20 0.43
APP P05067 1/20 0.41
PDE2A O00408 2/20 0.40
HSD11B1 P28845 1/20 0.40
MPL P40238 1/20 0.39
FEN1 P39748 7/20 0.38
ALOX5AP P20292 6/20 0.38
CYP11B2 P19099 3/20 0.37
CYP11B1 P15538 2/20 0.37
IDO1 P14902 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36

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
SCHEMBL27584945 0.86 ESR1 (0.40) ESR1ESR2APPPDE2AHSD11B1
SCHEMBL2245501 0.80 CCR1 (0.40) ESR1ESR2APP
SCHEMBL5861889 0.79 KIF11 (0.37) ESR1ESR2AKR1C3AKR1C2
SCHEMBL5862778 0.78 FEN1 (0.37) ESR1ESR2PDE2AHSD11B1MPL
SCHEMBL5862026 0.78 KIF11 (0.36) ESR1ESR2MPLAKR1C3AKR1C2
SCHEMBL6388947 0.76 MPL (0.43) APPHSD11B1MPL
SCHEMBL5861197 0.74 CYP1A2 (0.41) PDE2A
SCHEMBL6385846 0.69 FBP1 (0.39) ESR1ESR2
SCHEMBL6385083 0.68 CCR1 (0.39) ESR1ESR2APPPDE2AAKR1C3
SCHEMBL6383920 0.66 KCNH2 (0.39) ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7091237-B2 Furan and thiophene derivatives that activate human peroxisome proliferator activated receptors SMITHKLINE BEECHAM CORPORATION (US) 2006-08-15 US disclosed
EP-1392674-B1 FURAN AND THIOPHENE DERIVATIVES THAT ACTIVATE HUMAN PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS SMITHKLINE BEECHAM CORP (US) 2005-08-10 EP disclosed
US-20040157890-A1 Furan and thiophene derivatives that activate human peroxisome profilerator activated receptors GLAXO GROUP LIMITED (GB) 2004-08-12 US disclosed
EP-1392674-A1 FURAN AND THIOPHENE DERIVATIVES THAT ACTIVATE HUMAN PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS GLAXO GROUP LIMITED (GB) 2004-03-03 EP disclosed
WO-2002092590-A1 FURAN AND THIOPHENE DERIVATIVES THAT ACTIVATE HUMAN PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS GLAXO GROUP LIMITED (GB) 2002-11-21 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-20040157890-A1 Furan and thiophene derivatives that activate human peroxisome profilerator activated receptors PPARG, PPARD, PPARA ESR1 302/4885ESR2 356/4885APP 1840/4885

“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.