SCHEMBL486248

SCHEMBL486248

COC(=O)C(O)(c1c(C)[nH]n(-c2ccc(C(F)(F)F)cc2)c1=O)C(F)(F)F

nearest known ligand 0.79

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.79
ALDH1A1 P00352 2/20 0.79
APAF1 O14727 1/20 0.79
TDP2 O95551 1/20 0.79
LMNA P02545 1/20 0.79
MAPT P10636 1/20 0.79
THRB P10828 1/20 0.79
ALOX15 P16050 1/20 0.79
TDP1 Q9NUW8 1/20 0.79
CYP1A2 P05177 3/20 0.46
CYP3A4 P08684 3/20 0.46
CYP2C19 P33261 3/20 0.46
CYP2C9 P11712 1/20 0.46
TRPV1 Q8NER1 3/20 0.42
MPL P40238 1/20 0.40
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
MAPK1 P28482 1/20 0.39
SLC11A2 P49281 1/20 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
SCHEMBL486271 0.92 GAA (0.77) GAAALDH1A1APAF1TDP2LMNA
SCHEMBL486323 0.91 GAA (0.82) GAAALDH1A1APAF1TDP2LMNA
SCHEMBL486407 0.89 MAPT (0.80) GAAALDH1A1APAF1TDP2LMNA
SCHEMBL486142 0.88 GAA (0.79) GAAALDH1A1APAF1TDP2LMNA
SCHEMBL486288 0.88 GAA (0.79) GAAALDH1A1APAF1TDP2LMNA
SCHEMBL486090 0.88 GAA (1.00) GAAALDH1A1APAF1TDP2LMNA
SCHEMBL486047 0.86 GAA (0.87) GAAALDH1A1APAF1TDP2LMNA
SCHEMBL486346 0.86 MAPT (0.76) GAAALDH1A1APAF1TDP2LMNA
SCHEMBL486178 0.86 ALDH1A1 (0.76) GAAALDH1A1APAF1TDP2LMNA
SCHEMBL486196 0.86 TDP1 (0.76) GAAALDH1A1APAF1TDP2LMNA

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
EP-2145884-B1 INDOLEDIONE DERIVATIVE MSD KK (JP) 2014-08-06 EP disclosed
US-8106086-B2 Indoledione derivative MSD K.K. (JP) 2012-01-31 US disclosed
US-20100056597-A1 INDOLEDIONE DERIVATIVE MSD K.K. (JP) 2010-03-04 US disclosed
EP-2145884-A1 INDOLEDIONE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-01-20 EP 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-20100056597-A1 INDOLEDIONE DERIVATIVE LIPE, IDO1, ADRA1A GAA 3701/4885ALDH1A1 303/4885APAF1 4228/4885

“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.