SCHEMBL13398657

SCHEMBL13398657

CC(C)(C)OC(=O)Nc1nc(C(=O)O)c(-c2ccccc2)s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 6/20 0.48
GAA P10253 1/20 0.46
ALDH1A1 P00352 4/20 0.46
HSD17B10 Q99714 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
ALOX5 P09917 1/20 0.46
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
XIAP P98170 2/20 0.43
PI4KB Q9UBF8 1/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
ADORA3 P0DMS8 1/20 0.42

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
SCHEMBL19974144 0.90 GAA (0.59) LCKGAAALDH1A1HSD17B10CYP1A2
SCHEMBL19974156 0.90 LCK (0.47) LCKGAAALDH1A1HSD17B10CYP1A2
SCHEMBL14705866 0.89 ALDH1A1 (0.47) LCKGAAALDH1A1MAPTKDM4E
SCHEMBL3314292 0.86 ALDH1A1 (0.55) LCKGAAALDH1A1HSD17B10CYP1A2
SCHEMBL2946340 0.84 PTPN1 (0.45) LCK
SCHEMBL28889072 0.81 ALDH1A1 (0.46) LCKALDH1A1HSD17B10CYP1A2CYP2C9
SCHEMBL1715500 0.79 PTGER1 (0.43) LCKCYP2C9SMN1; SMN2PI4KB
SCHEMBL4328431 0.79 KDM4A (0.44) ALDH1A1HSD17B10MEN1KMT2ASMN1; SMN2
SCHEMBL2872950 0.78 LCK (0.47) LCKALDH1A1HSD17B10CYP1A2CYP2C9
SCHEMBL1256685 0.78 ALOX5 (0.56) LCKALDH1A1HSD17B10CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101605784-B Aza-bridged-ring compound ASTELLAS PHARMA INC JP 2013-04-10 CN disclosed
US-8367696-B2 Aza-bridged-ring compound ASTELLAS PHARMA INC. (JP) 2013-02-05 US disclosed
US-8367696-B2 Aza-bridged-ring compound ASTELLAS PHARMA INC. (JP) 2013-02-05 US disclosed
US-20100105658-A1 AZA-BRIDGED-RING COMPOUND ASTELLAS PHARMA INC. (JP) 2010-04-29 US disclosed
US-20100105658-A1 AZA-BRIDGED-RING COMPOUND ASTELLAS PHARMA INC. (JP) 2010-04-29 US disclosed
CN-101605784-A Aza-bridged-ring compound ASTELLAS PHARMA INC (JP) 2009-12-16 CN 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-20100105658-A1 AZA-BRIDGED-RING COMPOUND CHRM3, CHRM1, CHRM2 LCK 1987/4885GAA 4265/4885ALDH1A1 2006/4885

“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.