SCHEMBL5044848

SCHEMBL5044848

COc1ccc(OCc2nc(-c3cc(C(=O)NCC4CCCCC4)c(C)n3CC3CCCO3)cs2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25A P30304 1/20 0.45
CDC25B P30305 1/20 0.45
CDC25C P30307 1/20 0.45
DUSP3 P51452 1/20 0.45
ALDH1A1 P00352 9/20 0.44
KDM4E B2RXH2 8/20 0.44
GLA P06280 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
PKM P14618 1/20 0.44
HPGD P15428 7/20 0.44
CASP1 P29466 5/20 0.44
CASP7 P55210 5/20 0.44
HSD17B10 Q99714 5/20 0.44
GAA P10253 4/20 0.44
HTT P42858 4/20 0.43
TSHR P16473 4/20 0.43
POLB P06746 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
KMT2A Q03164 3/20 0.42
MAPT P10636 3/20 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
SCHEMBL5043924 0.90 CDC25A (0.46) CDC25ACDC25BCDC25CDUSP3ALDH1A1
SCHEMBL5047146 0.89 CDC25A (0.45) CDC25ACDC25BCDC25CDUSP3ALDH1A1
SCHEMBL5046853 0.88 CDC25A (0.59) CDC25ACDC25BCDC25CDUSP3ALDH1A1
SCHEMBL5048929 0.88 MAPT (0.47) ALDH1A1HPGDHTTPOLBL3MBTL1
SCHEMBL5043698 0.87 CDC25A (0.50) CDC25ACDC25BCDC25CDUSP3ALDH1A1
SCHEMBL5045004 0.87 POLB (0.43) ALDH1A1HTTPOLBL3MBTL1KMT2A
SCHEMBL5046850 0.86 MAPT (0.46) ALDH1A1HPGDHTTPOLBL3MBTL1
SCHEMBL5039249 0.86 MAPT (0.53) ALDH1A1HPGDHTTPOLBL3MBTL1
SCHEMBL5048735 0.86 CDC25A (0.45) CDC25ACDC25BCDC25CDUSP3ALDH1A1
SCHEMBL5045076 0.84 MAPT (0.40) ALDH1A1SMN1; SMN2HPGDHTTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1583762-B1 PYRROLYL-THIAZOLES AND THEIR USE AS CB 1 RECEPTOR INVERSE AGONISTS HOFFMANN LA ROCHE (CH) 2008-07-09 EP disclosed
US-7135488-B2 Pyrrolyl-thiazole derivatives HOFFMANN-LA ROCHE INC. (US) 2006-11-14 US disclosed
EP-1583762-A1 PYRROLYL-THIAZOLES AND THEIR USE AS CB 1 RECEPTOR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-10-12 EP disclosed
US-20040147572-A1 Novel pyrrolyl-thiazole derivatives HOFFMAN-LA ROCHE INC. 2004-07-29 US disclosed
WO-2004060888-A1 NOVEL CB 1 RECEPTOR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-07-22 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-20040147572-A1 Novel pyrrolyl-thiazole derivatives CNR1, CNR2, NPY1R CDC25A 1091/4885CDC25B 1444/4885CDC25C 1386/4885

“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.