SCHEMBL2079022

SCHEMBL2079022

CCOC(=O)C1CCN(c2nc(C(=O)O)cs2)CC1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.51
RAB9A P51151 2/20 0.51
ALDH1A1 P00352 6/20 0.49
NPC1 O15118 2/20 0.49
SHMT2 P34897 1/20 0.47
LGMN Q99538 1/20 0.47
POLB P06746 1/20 0.47
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
TP53 P04637 1/20 0.46
GAA P10253 1/20 0.46
CYP2C9 P11712 1/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 1/20 0.46
BLM P54132 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL2554157 0.84 MAPT (0.55) MAPTRAB9AALDH1A1NPC1SHMT2
SCHEMBL2080451 0.83 SMN1; SMN2 (0.50) MAPTRAB9AALDH1A1NPC1POLB
SCHEMBL13634346 0.82 HRH3 (0.47) MAPTRAB9AALDH1A1POLBMEN1
SCHEMBL27149236 0.81 GAA (0.48) MAPTRAB9AALDH1A1NPC1LGMN
SCHEMBL2080164 0.80 SMN1; SMN2 (0.57) MAPTRAB9AALDH1A1NPC1MEN1
SCHEMBL3551346 0.79 SMN1; SMN2 (0.58) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL13162807 0.79 HRH3 (0.48) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL27143803 0.78 PDE10A (0.44) MAPTALDH1A1POLBMEN1KMT2A
SCHEMBL3435877 0.78 HRH3 (0.52) RAB9AALDH1A1NPC1KDM4ESMN1; SMN2
SCHEMBL13163986 0.78 HRH3 (0.43)

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-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

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 MAPT 1330/4885RAB9A 4401/4885ALDH1A1 975/4885

“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.