SCHEMBL5861889

SCHEMBL5861889

Cc1cc(-c2cc(F)c(C(F)(F)F)cc2F)sc1CO

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.37
ESR1 P03372 2/20 0.35
ESR2 Q92731 2/20 0.35
CHRNA7 P36544 1/20 0.33
GPR3 P46089 1/20 0.31
AKR1B10 O60218 1/20 0.30
AKR1C4 P17516 1/20 0.30
AKR1C3 P42330 1/20 0.30
AKR1C2 P52895 1/20 0.30
AKR1C1 Q04828 1/20 0.30

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
SCHEMBL5862026 0.79 KIF11 (0.36) KIF11ESR1ESR2CHRNA7AKR1B10
SCHEMBL5861822 0.79 ESR1 (0.43) ESR1ESR2AKR1C3AKR1C2
SCHEMBL5860655 0.77 ESR1 (0.30) ESR1ESR2
SCHEMBL2245501 0.69 CCR1 (0.40) KIF11ESR1ESR2
SCHEMBL27584945 0.65 ESR1 (0.40) ESR1ESR2AKR1C3AKR1C2
SCHEMBL13677246 0.64 KIF11 (0.36) KIF11GPR3AKR1B10AKR1C4AKR1C3
SCHEMBL5861197 0.64 CYP1A2 (0.41) KIF11
SCHEMBL12725570 0.63 KIF11 (0.46) KIF11GPR3
SCHEMBL15850523 0.63 KIF11 (0.44) KIF11GPR3
SCHEMBL5017176 0.63 PPARD (0.57) KIF11

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 KIF11 4320/4885ESR1 302/4885ESR2 356/4885

“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.