SCHEMBL3557500

SCHEMBL3557500

O=C(O)c1csc(C2CCOC2)n1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CASP8 Q14790 2/20 0.48
PTGER2 P43116 6/20 0.36
LDHA P00338 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PTGER1 P34995 2/20 0.36
PTGER3 P43115 2/20 0.36
PLA2G10 O15496 1/20 0.36
CASP3 P42574 1/20 0.35
UCHL1 P09936 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL3551574 0.91 CASP8 (0.47) CASP8PTGER2LDHAL3MBTL1PTGER1
SCHEMBL29987610 0.83 CASP3 (0.39) CASP8CASP3UCHL1
SCHEMBL1141577 0.82 CASP8 (0.49) CASP8PTGER2LDHAL3MBTL1PTGER1
SCHEMBL3436202 0.80 CASP3 (0.55) CASP8CASP3ALDH1A1
SCHEMBL1247127 0.79 LDHA (0.49) CASP8PTGER2LDHAL3MBTL1ALDH1A1
SCHEMBL2143075 0.79 CASP8 (0.47) CASP8PTGER2LDHAL3MBTL1PTGER1
SCHEMBL996815 0.78 LDHA (0.51) CASP8PTGER2LDHAL3MBTL1ALDH1A1
SCHEMBL26979851 0.77 HTR2B (0.38) CASP8ALDH1A1
SCHEMBL24362835 0.76 CASP8 (0.45) CASP8PTGER2LDHAL3MBTL1PTGER1
SCHEMBL3553602 0.76 CASP8 (0.45) CASP8PTGER2LDHAL3MBTL1PTGER1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 CASP8 1889/4885PTGER2 1164/4885LDHA 2568/4885

“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.