SCHEMBL5861808

SCHEMBL5861808

CC(C)(C)NC(=O)c1cc(-c2ccc(C(F)(F)F)cc2)cs1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 1/20 0.46
HDAC6 Q9UBN7 1/20 0.44
MMP12 P39900 6/20 0.41
MMP13 P45452 2/20 0.41
P2RY14 Q15391 2/20 0.41
ALAD P13716 2/20 0.40
ALOX5AP P20292 2/20 0.40
FEN1 P39748 2/20 0.40
POLB P06746 1/20 0.40
KIF11 P52732 1/20 0.40
PTPN1 P18031 1/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 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
SCHEMBL6450492 0.83 MMP12 (0.60) ULK1HDAC6MMP12MMP13KIF11
SCHEMBL219141 0.81 HDAC6 (0.50) ULK1HDAC6ALADKIF11MAPT
SCHEMBL5862789 0.79 ALAD (0.63) ULK1HDAC6MMP12MMP13P2RY14
SCHEMBL27773427 0.77 HDAC6 (0.47) ULK1HDAC6MMP12ALADKIF11
SCHEMBL7753604 0.73 TRPV1 (0.59) PTPN1LMNA
SCHEMBL20988415 0.73 MAPK1 (0.64) HDAC6POLBKDM4ELMNAMAPT
SCHEMBL19656299 0.72 P2RY14 (0.50) P2RY14POLB
SCHEMBL7059636 0.71 CHRNB2 (0.48) ULK1MMP12
SCHEMBL18285297 0.71 P2RY14 (0.49) P2RY14ALOX5APFEN1KIF11
SCHEMBL29727643 0.71 P2RY14 (0.49) P2RY14ALOX5APFEN1KIF11

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 ULK1 1518/4885HDAC6 1897/4885MMP12 3228/4885

“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.