SCHEMBL3887623

SCHEMBL3887623

CCCc1cccc(C(=O)Cc2ccnc(NC(=O)OC(C)(C)C)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 9/20 0.43
SREBF2 Q12772 1/20 0.40
MAPK14 Q16539 2/20 0.39
IGF1R P08069 1/20 0.39
RIOK2 Q9BVS4 1/20 0.39
CCR2 P41597 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GRIN2B Q13224 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.38

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
SCHEMBL3888916 0.92 RIOK2 (0.47) NR3C2IGF1RRIOK2CCR2MEN1
SCHEMBL3889244 0.88 GRM5 (0.42) NR3C2IGF1RRIOK2CCR2MEN1
SCHEMBL12695309 0.87 NR3C2 (0.47) NR3C2SREBF2MAPK14IGF1RCCR2
SCHEMBL3890052 0.86 NR3C2 (0.48) NR3C2IGF1RRIOK2CCR2MEN1
SCHEMBL3900906 0.86 NR3C2 (0.46) NR3C2IGF1RRIOK2CCR2MEN1
SCHEMBL3902968 0.85 NR3C2 (0.47) NR3C2MAPK14IGF1RRIOK2CCR2
SCHEMBL3900938 0.85 CCR2 (0.47) IGF1RRIOK2CCR2IRAK4
SCHEMBL5201420 0.84 NR3C2 (0.52) NR3C2RIOK2MEN1KMT2A
SCHEMBL3890091 0.84 NR3C2 (0.51) NR3C2IGF1RRIOK2
SCHEMBL5202179 0.84 NR3C2 (0.44) NR3C2IGF1RRIOK2CCR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7495018-B2 Substituted 1,3-thiazole compounds, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-02-24 US disclosed
US-20050080113-A1 Medicinal compositions TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-04-14 US disclosed
EP-1402900-A1 MEDICINAL COMPOSITIONS Takeda Chemical Industries, Ltd. (JP) 2004-03-31 EP disclosed
US-20040053973-A1 Substituted 1,3-thiazole compounds, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-03-18 US disclosed
EP-1268474-A2 SUBSTITUTED 1,3-THIAZOLE COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 2003-01-02 EP disclosed
WO-2001074811-A2 SUBSTITUTED 1,3-THIAZOLE COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-10-11 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 (2 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-20050080113-A1 Medicinal compositions TNF, TRAF6, MMP8 NR3C2 1929/4885SREBF2 1074/4885MAPK14 50/4885
US-20040053973-A1 Substituted 1,3-thiazole compounds, their production and use MAPK1, MAP4K2, MAPK4 NR3C2 1086/4885SREBF2 4465/4885MAPK14 31/4885

“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.