SCHEMBL3093451

SCHEMBL3093451

CC(=O)c1cc(-c2ccccc2F)c(-c2ccccc2F)cc1-c1ccccc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACMSD Q8TDX5 1/20 0.42
KMT2A Q03164 3/20 0.41
PTPRC P08575 2/20 0.41
ADORA3 P0DMS8 2/20 0.41
ADORA2A P29274 2/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
S100A4 P26447 1/20 0.40
GAA P10253 1/20 0.39
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
GPR35 Q9HC97 2/20 0.38
ALDH1A1 P00352 3/20 0.38
ALOX15 P16050 1/20 0.38
NPC1 O15118 2/20 0.38
MAPT P10636 2/20 0.38
RAB9A P51151 2/20 0.38
MEN1 O00255 2/20 0.38

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
SCHEMBL6189481 0.89 ACMSD (0.42) ACMSDKMT2APTPRCADORA3ADORA2A
SCHEMBL1515817 0.82 CES2 (0.50) ACMSDKMT2APTPRCCES2CES1
SCHEMBL5211314 0.82 CES2 (0.44) ACMSDKMT2APTPRCADORA3ADORA2A
SCHEMBL4074665 0.81 ACMSD (0.54) ACMSDPTPRCNPSR1ALOX5APFEN1
SCHEMBL12388490 0.78 KDM4C (0.48) ACMSDKMT2APTPRCS100A4NPC1
SCHEMBL11725835 0.74 S100A4 (0.56) KMT2AADORA3ADORA2ANPSR1SMN1; SMN2
SCHEMBL11308153 0.74 S100A4 (0.56) KMT2AADORA3ADORA2ACES2CES1
SCHEMBL13461 0.73 CES2 (0.65) KMT2ACES2CES1SMN1; SMN2GAA
SCHEMBL29593208 0.73 CES2 (0.65) KMT2ACES2CES1SMN1; SMN2GAA
SCHEMBL3854308 0.71 ALOX5AP (0.49) ACMSDKMT2ACES2CES1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7790741-B2 Imidazothiazoles and imidazoxazoles ABBOTT LABORATORIES (US) 2010-09-07 US disclosed
EP-2068869-A2 NOVEL IMIDAZOTHIAZOLES AND IMIDAZOXAZOLES Abbott Laboratories (US) 2009-06-17 EP disclosed
US-20080161341-A1 Novel imidazothiazoles and imidazoxazoles ABBVIE INC. 2008-07-03 US disclosed
WO-2008063287-A2 NOVEL IMIDAZOTHIAZOLES AND IMIDAZOXAZOLES ABBOTT LABORATORIES (US) 2008-05-29 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-20080161341-A1 Novel imidazothiazoles and imidazoxazoles MAP3K1, MAP3K19, MAP3K5 ACMSD 4850/4885KMT2A 1611/4885PTPRC 887/4885

“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.