SCHEMBL6133869

SCHEMBL6133869

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

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CFTR P13569 6/20 0.48
XIAP P98170 5/20 0.47
NR2F2 P24468 1/20 0.46
ADORA2A P29274 4/20 0.43
ADORA1 P30542 3/20 0.43
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
POLB P06746 2/20 0.42
HTT P42858 1/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
NFKB1 P19838 1/20 0.42
RAB9A P51151 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL6133654 0.89 ALDH1A1 (0.54) XIAPADORA2AADORA1ALDH1A1MAPT
SCHEMBL6135469 0.88 XIAP (0.55) XIAPADORA2AADORA1ALDH1A1MAPT
SCHEMBL6134090 0.87 XIAP (0.45) XIAPADORA2AADORA1ALDH1A1MAPT
SCHEMBL6133303 0.87 ADORA2A (0.60) XIAPADORA2AADORA1ALDH1A1MAPT
SCHEMBL6133228 0.87 XIAP (0.48) XIAPADORA2AADORA1ALDH1A1MAPT
SCHEMBL6134187 0.86 XIAP (0.41) XIAPADORA2AADORA1ALDH1A1MAPT
SCHEMBL6133361 0.85 ADORA2A (0.48) XIAPADORA2AADORA1ALDH1A1MAPT
SCHEMBL6133306 0.85 ADORA1 (0.60) XIAPADORA2AADORA1ALDH1A1MAPT
SCHEMBL6133625 0.85 ADORA2A (0.56) XIAPADORA2AADORA1ALDH1A1MAPT
SCHEMBL6133685 0.85 XIAP (0.48) XIAPADORA2AADORA1ALDH1A1MAPT

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-20050004134-A1 Thiazole derivative and pharmaceutical use thereof ASTELLAS PHARMA INC. (JP) 2005-01-06 US disclosed
EP-1441732-A2 THIAZOLE DERIVATIVE AND PHARMACEUTICAL USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-04 EP disclosed
WO-2003039451-A2 THIAZOLE PYRIDAZINONES AS ADENOSINE ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-05-15 WO 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 CFTR 25/4885XIAP 4881/4885NR2F2 605/4885

“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.