SCHEMBL6134090

SCHEMBL6134090

CC(C)n1nc(-c2sc(NC(=O)OC(C)(C)C)nc2-c2ccccc2)ccc1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XIAP P98170 4/20 0.45
ALDH1A1 P00352 4/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ALOX5 P09917 1/20 0.43
JUN P05412 1/20 0.42
ADORA2A P29274 4/20 0.41
MAPT P10636 3/20 0.41
ADORA1 P30542 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HTT P42858 3/20 0.41
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
BRD9 Q9H8M2 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
ADORA2B P29275 1/20 0.40

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
SCHEMBL6133781 0.88 XIAP (0.46) XIAPALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL6133869 0.87 CFTR (0.48) XIAPALDH1A1ADORA2AMAPTADORA1
SCHEMBL6133654 0.86 ALDH1A1 (0.54) XIAPALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL6135469 0.85 XIAP (0.55) XIAPALDH1A1ADORA2AMAPTADORA1
SCHEMBL6133303 0.84 ADORA2A (0.60) XIAPALDH1A1CYP2C9CYP2C19ADORA2A
SCHEMBL6133228 0.84 XIAP (0.48) XIAPALDH1A1ADORA2AMAPTADORA1
SCHEMBL6134187 0.84 XIAP (0.41) XIAPALDH1A1ADORA2AMAPTADORA1
SCHEMBL6133306 0.83 ADORA1 (0.60) XIAPALDH1A1ALOX5ADORA2AMAPT
SCHEMBL6133625 0.83 ADORA2A (0.56) XIAPALDH1A1ADORA2AMAPTADORA1
SCHEMBL6133361 0.83 ADORA2A (0.48) XIAPALDH1A1HSD17B10ADORA2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050004134-A1 Thiazole derivative and pharmaceutical use thereof ASTELLAS PHARMA INC. (JP) 2005-01-06 US 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-20050004134-A1 Thiazole derivative and pharmaceutical use thereof MC2R, CYP2C9, OXTR XIAP 4881/4885ALDH1A1 630/4885CYP1A2 114/4885

“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.