SCHEMBL2080451

SCHEMBL2080451

CCOC(=O)c1csc(N2CCC(C(=O)O)CC2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.50
GAA P10253 2/20 0.50
OGA O60502 1/20 0.50
ALDH1A1 P00352 3/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
MAPT P10636 2/20 0.48
HPGD P15428 2/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
BLM P54132 1/20 0.47
ESR2 Q92731 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TP53 P04637 1/20 0.47
HRH3 Q9Y5N1 2/20 0.45
KDM4E B2RXH2 1/20 0.45
USP2 O75604 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL2080164 0.89 SMN1; SMN2 (0.57) SMN1; SMN2GAAOGAALDH1A1NPC1
SCHEMBL5723882 0.88 OGA (0.52) SMN1; SMN2GAAOGAALDH1A1NPC1
SCHEMBL5723854 0.86 GAA (0.48) SMN1; SMN2GAAOGAALDH1A1NPC1
SCHEMBL3435164 0.85 OGA (0.50) SMN1; SMN2GAAOGAALDH1A1NPC1
SCHEMBL15888547 0.85 HRH3 (0.53) SMN1; SMN2GAAOGAALDH1A1NPC1
SCHEMBL27149236 0.85 GAA (0.48) SMN1; SMN2GAAOGAALDH1A1NPC1
SCHEMBL7185606 0.84 ALDH1A1 (0.62) SMN1; SMN2GAAOGAALDH1A1NPC1
SCHEMBL18003332 0.84 MAPT (0.52) SMN1; SMN2GAAOGAALDH1A1NPC1
SCHEMBL15888540 0.83 OGA (0.48) SMN1; SMN2GAAOGAALDH1A1NPC1
SCHEMBL10464669 0.83 ALDH1A1 (0.64) SMN1; SMN2GAAOGAALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101426774-B Azolecarboxamide derivative ASTELLAS PHARMA INC 2012-04-25 CN disclosed
US-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 US disclosed
CN-101426774-A Azolecarboxamide derivative ASTELLAS PHARMA INC (JP) 2009-05-06 CN disclosed
EP-2009005-A1 AZOLECARBOXAMIDE DERIVATIVE Astellas Pharma Inc. (JP) 2008-12-31 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-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE GPR17, NTRK1, TRPV1 SMN1; SMN2 3601/4885GAA 3904/4885OGA 2003/4885

“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.