SCHEMBL486178

SCHEMBL486178

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

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.76
MAPT P10636 5/20 0.76
GAA P10253 4/20 0.76
LMNA P02545 3/20 0.76
TDP2 O95551 2/20 0.76
TDP1 Q9NUW8 2/20 0.76
APAF1 O14727 1/20 0.76
THRB P10828 1/20 0.76
ALOX15 P16050 1/20 0.76
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
ALKBH5 Q6P6C2 1/20 0.39
ELOVL6 Q9H5J4 1/20 0.37
ELOVL3 Q9HB03 1/20 0.37
MPL P40238 1/20 0.37
KMT2A Q03164 4/20 0.36
HPGD P15428 2/20 0.36
L3MBTL1 Q9Y468 2/20 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
SCHEMBL486288 0.89 GAA (0.79) ALDH1A1MAPTGAALMNATDP2
SCHEMBL486323 0.89 GAA (0.82) ALDH1A1MAPTGAALMNATDP2
SCHEMBL486407 0.87 MAPT (0.80) ALDH1A1MAPTGAALMNATDP2
SCHEMBL486555 0.87 MAPT (0.72) ALDH1A1MAPTGAALMNATDP2
SCHEMBL486142 0.86 GAA (0.79) ALDH1A1MAPTGAALMNATDP2
SCHEMBL486248 0.86 GAA (0.79) ALDH1A1MAPTGAALMNATDP2
SCHEMBL486090 0.86 GAA (1.00) ALDH1A1MAPTGAALMNATDP2
SCHEMBL486271 0.85 GAA (0.77) ALDH1A1MAPTGAALMNATDP2
SCHEMBL486346 0.84 MAPT (0.76) ALDH1A1MAPTGAALMNATDP2
SCHEMBL486047 0.84 GAA (0.87) ALDH1A1MAPTGAALMNATDP2

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 ALDH1A1 303/4885MAPT 2831/4885GAA 3701/4885

“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.