SCHEMBL3498006

SCHEMBL3498006

CCOC(=O)c1c(NC(=O)OC(C)(C)C)sc(-c2ccccc2)c1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM6 O15303 10/20 0.58
ALDH1A1 P00352 8/20 0.58
MAPT P10636 4/20 0.58
HPGD P15428 4/20 0.58
NPSR1 Q6W5P4 3/20 0.58
GAA P10253 1/20 0.58
CYP1A2 P05177 2/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
MEN1 O00255 1/20 0.51
CYP3A4 P08684 1/20 0.51
KMT2A Q03164 1/20 0.51
TP53 P04637 1/20 0.49
POLB P06746 2/20 0.48
LMNA P02545 2/20 0.47
THRB P10828 1/20 0.47
HTT P42858 1/20 0.47
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL14876133 0.90 ALDH1A1 (0.48) GRM6ALDH1A1MAPTHPGDNPSR1
SCHEMBL3496420 0.87 GRM6 (0.56) GRM6ALDH1A1MAPTHPGDNPSR1
SCHEMBL29720642 0.83 ALDH1A1 (0.53) GRM6ALDH1A1MAPTHPGDNPSR1
SCHEMBL28892519 0.81 POLB (0.49) ALDH1A1MAPTHPGDNPSR1CYP1A2
SCHEMBL10712535 0.80 GRM6 (0.56) GRM6ALDH1A1MAPTHPGDNPSR1
SCHEMBL25282452 0.80 ALDH1A1 (0.58) GRM6ALDH1A1MAPTHPGDNPSR1
SCHEMBL29720475 0.80 LMNA (0.67) ALDH1A1MAPTHPGDNPSR1CYP2C9
SCHEMBL29720422 0.79 GAA (0.49) GRM6ALDH1A1MAPTHPGDNPSR1
SCHEMBL16817608 0.79 MAPT (0.49) ALDH1A1MAPTHPGDNPSR1CYP1A2
SCHEMBL3498934 0.78 ALDH1A1 (0.50) ALDH1A1MAPTHPGDNPSR1GAA

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-20100160255-A1 SPIRO-CYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-24 US disclosed
US-20100160255-A1 SPIRO-CYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-24 US disclosed
US-20100160255-A1 SPIRO-CYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-24 US disclosed
EP-1911753-A1 SPIRO-CYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-04-16 EP disclosed
EP-1911753-A1 SPIRO-CYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-04-16 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-20100160255-A1 SPIRO-CYCLIC COMPOUND ACACA, CPT1B, PC GRM6 3670/4885ALDH1A1 772/4885MAPT 4356/4885

“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.