SCHEMBL4352029

SCHEMBL4352029

COCCNC1=NC(=O)/C(=C/c2ccc(C(C)(C)C)cc2)S1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 15/20 0.51
ALDH1A1 P00352 3/20 0.49
MAPT P10636 3/20 0.49
MAPK1 P28482 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MEN1 O00255 2/20 0.46
HTT P42858 2/20 0.46
KMT2A Q03164 2/20 0.46
MYC P01106 1/20 0.38
MAX P61244 1/20 0.38
GAA P10253 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL4352032 1.00 ALOX5 (0.51) ALOX5ALDH1A1MAPTMAPK1NPSR1
SCHEMBL4352433 0.77 ALOX5 (0.47) ALOX5ALDH1A1MAPTMAPK1NPSR1
SCHEMBL4352430 0.77 ALOX5 (0.47) ALOX5ALDH1A1MAPTMAPK1NPSR1
SCHEMBL4354172 0.75 ALOX5 (0.54) ALOX5ALDH1A1MAPTMAPK1NPSR1
SCHEMBL4354174 0.75 ALOX5 (0.54) ALOX5ALDH1A1MAPTMAPK1NPSR1
SCHEMBL4152564 0.74 ESRRA (0.54) ALDH1A1MAPTMEN1HTTKMT2A
SCHEMBL2197524 0.74 ESRRA (0.54) ALDH1A1MAPTMEN1HTTKMT2A
SCHEMBL4346458 0.69 ALOX5 (0.56) ALOX5ALDH1A1MAPTMAPK1NPSR1
SCHEMBL4346461 0.69 ALOX5 (0.56) ALOX5ALDH1A1MAPTMAPK1NPSR1
SCHEMBL4432031 0.69 ESRRA (0.62) ALDH1A1MAPTMEN1HTTKMT2A

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
EP-1890695-B1 USE OF 2,5-DISUBSTITUTED THIAZOL-4-ONE DERIVATIVES IN DRUGS GRUENENTHAL GMBH (DE) 2013-02-20 EP claimed
US-20090215758-A1 Use of 2,5-Disubstituted Thiazol-4-One Derivatives in Drugs GRUENENTHAL GMBH (DE) 2009-08-27 US claimed
US-20090215758-A1 Use of 2,5-Disubstituted Thiazol-4-One Derivatives in Drugs GRUENENTHAL GMBH (DE) 2009-08-27 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-20090215758-A1 Use of 2,5-Disubstituted Thiazol-4-One Derivatives in Drugs ABCB1, ABCG2, SLC5A2 ALOX5 2623/4885ALDH1A1 284/4885MAPT 1470/4885

“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.