SCHEMBL5034722

SCHEMBL5034722

CCN(CC)C(=O)c1csc(N(C(=O)c2ccc(Cl)cc2Cl)c2ccc(OC)c(OC)c2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.44
TSHR P16473 2/20 0.41
ALDH1A1 P00352 4/20 0.40
MAPT P10636 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39
FLT1 P17948 1/20 0.38
FLT4 P35916 1/20 0.38
KDR P35968 1/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAPK1 P28482 2/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HCRTR2 O43614 5/20 0.37
HCRTR1 O43613 3/20 0.37
NPC1 O15118 2/20 0.37
HPGD P15428 2/20 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
SCHEMBL5032515 0.95 CYP3A4 (0.41) CYP3A4TSHRALDH1A1MAPTL3MBTL1
SCHEMBL5041208 0.94 CYP3A4 (0.41) CYP3A4TSHRALDH1A1MAPTL3MBTL1
SCHEMBL5032602 0.93 CYP3A4 (0.40) CYP3A4TSHRALDH1A1MAPTL3MBTL1
SCHEMBL5039048 0.93 CYP3A4 (0.43) CYP3A4TSHRALDH1A1MAPTL3MBTL1
SCHEMBL5032525 0.90 CRHR1 (0.39) CYP3A4TSHRALDH1A1MAPTFLT1
SCHEMBL5032622 0.90 FLT1 (0.40) CYP3A4TSHRALDH1A1MAPTGABRB2
SCHEMBL5032527 0.90 ALDH1A1 (0.46) CYP3A4TSHRALDH1A1MAPTFLT1
SCHEMBL5035199 0.89 CYP3A4 (0.39) CYP3A4TSHRALDH1A1MAPTL3MBTL1
SCHEMBL14190166 0.89 CYP3A4 (0.37) CYP3A4TSHRALDH1A1MAPTFLT1
SCHEMBL5035872 0.89 LMNA (0.48) CYP3A4TSHRMAPTL3MBTL1GABRA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7371751-B2 Thiazole derivatives HOFFMANN-LA ROCHE INC. (US) 2008-05-13 US claimed
EP-1694673-B1 THIAZOLE DERIVATES HOFFMANN LA ROCHE (CH) 2008-01-16 EP claimed
JP-2007513193-A 2007-05-24 JP claimed
EP-1694673-A1 NOVEL THIAZOLE DERIVATES F.HOFFMANN-LA ROCHE AG (CH) 2006-08-30 EP claimed
US-20050153962-A1 Thiazole derivatives HOFFMANN-LA ROCHE INC. 2005-07-14 US claimed
WO-2005058887-A1 NOVEL THIAZOLE DERIVATES F. HOFFMANN-LA ROCHE AG (CH) 2005-06-30 WO claimed
US-7371751-B2 Thiazole derivatives HOFFMANN-LA ROCHE INC. (US) 2008-05-13 US disclosed
US-7371751-B2 Thiazole derivatives HOFFMANN-LA ROCHE INC. (US) 2008-05-13 US 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
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 CYP3A4 693/4885TSHR 42/4885ALDH1A1 473/4885

“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.