SCHEMBL5038697

SCHEMBL5038697

COc1ccc(Nc2ncc(C(=O)O)s2)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 4/20 0.52
MAPK12 P53778 4/20 0.52
MAPK11 Q15759 4/20 0.52
MAPK14 Q16539 4/20 0.52
SMN1; SMN2 Q16637 4/20 0.51
RAB9A P51151 3/20 0.51
NPC1 O15118 2/20 0.50
KMT2A Q03164 3/20 0.49
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 2/20 0.49
HPGD P15428 1/20 0.49
MAPK8 P45983 1/20 0.47
MAPK9 P45984 1/20 0.47
CTSV O60911 1/20 0.45
CTSL P07711 1/20 0.45
MAPT P10636 2/20 0.45
MEN1 O00255 1/20 0.45
ALOX5 P09917 1/20 0.44

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
SCHEMBL5034834 0.83 MAPT (0.54) SMN1; SMN2RAB9ANPC1KMT2AALDH1A1
SCHEMBL4252563 0.77 MAPK14 (0.74) MAPK13MAPK12MAPK11MAPK14SMN1; SMN2
SCHEMBL4250360 0.77 RAB9A (0.57) MAPK13MAPK12MAPK11MAPK14SMN1; SMN2
SCHEMBL3629901 0.77 RAB9A (0.68) MAPK13MAPK12MAPK11MAPK14SMN1; SMN2
SCHEMBL8686302 0.76 MAPK8 (0.57) SMN1; SMN2RAB9ANPC1KMT2AALDH1A1
SCHEMBL2873347 0.76 ALDH1A1 (0.50) SMN1; SMN2RAB9ANPC1KMT2AALDH1A1
SCHEMBL6330953 0.75 SMN1; SMN2 (0.68) MAPK13MAPK12MAPK11MAPK14SMN1; SMN2
SCHEMBL8682666 0.73 MAPT (0.56) SMN1; SMN2RAB9ANPC1KMT2AALDH1A1
SCHEMBL22510115 0.72 SMN1; SMN2 (0.60) SMN1; SMN2RAB9AKMT2AALDH1A1KDM4E
SCHEMBL4250552 0.71 KDR (0.59) MAPK13MAPK12MAPK11MAPK14SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100509808-C Novel thiazole derivates HOFFMANN LA ROCHE (CH) 2009-07-08 CN disclosed
US-7371751-B2 Thiazole derivatives HOFFMANN-LA ROCHE INC. (US) 2008-05-13 US disclosed
EP-1694673-B1 THIAZOLE DERIVATES HOFFMANN LA ROCHE (CH) 2008-01-16 EP disclosed
CN-1890236-A Novel thiazole derivates HOFFMANN LA ROCHE (CH) 2007-01-03 CN disclosed
EP-1694673-A1 NOVEL THIAZOLE DERIVATES F.HOFFMANN-LA ROCHE AG (CH) 2006-08-30 EP disclosed
US-20050153962-A1 Thiazole derivatives HOFFMANN-LA ROCHE INC. 2005-07-14 US disclosed
WO-2005058887-A1 NOVEL THIAZOLE DERIVATES F. HOFFMANN-LA ROCHE AG (CH) 2005-06-30 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-20050153962-A1 Thiazole derivatives CNR1, CNR2, GPR119 MAPK13 3031/4885MAPK12 2755/4885MAPK11 2899/4885

“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.