SCHEMBL5041129

SCHEMBL5041129

CCN(C)C(=O)c1csc(N(C(=O)c2ccc(Cl)cc2Cl)c2ccc(OC(F)(F)F)cc2)n1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.41
PDK1 Q15118 2/20 0.37
GCGR P47871 1/20 0.37
GIPR P48546 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.36
DHODH Q02127 1/20 0.35
SCN10A Q9Y5Y9 1/20 0.35
HCRTR2 O43614 1/20 0.34
LTC4S Q16873 1/20 0.34
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
KMT2A Q03164 1/20 0.33
MARS1 P56192 1/20 0.33
GPBAR1 Q8TDU6 1/20 0.33
GAA P10253 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SCN9A Q15858 1/20 0.33
EPHX2 P34913 1/20 0.33

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
SCHEMBL5035942 0.90 RAB9A (0.41) DHODHSCN10AHCRTR2MEN1NPC1
SCHEMBL5032541 0.89 CYP3A4 (0.52) CYP3A4MEN1NPC1KMT2A
SCHEMBL5035123 0.87 DHODH (0.42) CYP3A4GCGRGIPRTRPV1TRPM8
SCHEMBL5039048 0.82 CYP3A4 (0.43) CYP3A4HCRTR2MEN1NPC1KMT2A
SCHEMBL5034876 0.82 CYP3A4 (0.43) CYP3A4HCRTR2MEN1NPC1KMT2A
SCHEMBL5035020 0.82 NPC1 (0.39) GCGRGIPRTRPV1DHODHMEN1
SCHEMBL5034751 0.82 CYP3A4 (0.47) CYP3A4MEN1NPC1KMT2ANPSR1
SCHEMBL5035304 0.81 CYP3A4 (0.54) CYP3A4MEN1NPC1KMT2A
SCHEMBL5038953 0.80 CYP3A4 (0.46) CYP3A4MEN1NPC1KMT2A
SCHEMBL14190164 0.80 CYP3A4 (0.45) CYP3A4MEN1NPC1KMT2ANPSR1

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 693/4885PDK1 884/4885GCGR 26/4885

“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.