SCHEMBL13312941

SCHEMBL13312941

CCOC(=O)c1cc2cc(OCCOC)cc(N)c2n1C(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.34
PTGER4 P35408 2/20 0.33
NOD2 Q9HC29 1/20 0.33
NOD1 Q9Y239 1/20 0.33
ADORA1 P30542 1/20 0.32
P2RY12 Q9H244 1/20 0.32
MAOA P21397 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
NR1I2 O75469 1/20 0.32
PGR P06401 1/20 0.32
CYP3A4 P08684 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
CYP2C9 P11712 1/20 0.32
SLC6A2 P23975 1/20 0.32
TBXAS1 P24557 1/20 0.32
CYP2C19 P33261 1/20 0.32
DRD3 P35462 1/20 0.32
OPRK1 P41145 1/20 0.32
PDE4D Q08499 1/20 0.32

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
SCHEMBL2668890 0.85 MAPT (0.37) NR1H2PTGER4NOD2NOD1LMNA
SCHEMBL13531635 0.82 MEN1 (0.35) NR1H2P2RY12MAOAATMTP53
SCHEMBL4821364 0.82 NR1H2 (0.44) NR1H2NOD2NOD1MAOALMNA
SCHEMBL13174688 0.80 NR1H2 (0.44) NR1H2NOD2NOD1MAOATP53
SCHEMBL6520445 0.73 NR1H2 (0.45) NR1H2NOD2NOD1MAOATDP1
SCHEMBL6514090 0.73 MAOA (0.47) NR1H2NOD2NOD1MAOALMNA
SCHEMBL2454155 0.72 NOD2 (0.37) NOD2NOD1LMNACYP2C19TP53
SCHEMBL21703304 0.72 NOD2 (0.37) NR1H2NOD2NOD1LMNAHTT
SCHEMBL6512126 0.71 NOD2 (0.44) NR1H2NOD2NOD1MAOALMNA
SCHEMBL5223580 0.70 HPGD (0.38) NR1H2NOD2NOD1ADORA1ADORA3

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-20100137610-A1 Indole compound YASUMA TSUNEO 2010-06-03 US disclosed
US-20100137610-A1 Indole compound YASUMA TSUNEO 2010-06-03 US disclosed
US-7652133-B2 Indole compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-26 US disclosed
US-7652133-B2 Indole compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-26 US disclosed
US-20080096877-A1 Glucokinase activators; prophylaxis or treatment of diabetes, obesity; sulfonamide or sulfonate-functional thiazole or thiadiazole-substituted indoles; N,N-dimethyl-2-{4-[(2-{7-[methyl(2-thienylsulfonyl)amino]-1H-indol-2-yl}-1,3-thiazol-5-yl)methyl]piperazin-1-yl}acetamide for example TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-04-24 US disclosed
US-20080096877-A1 Glucokinase activators; prophylaxis or treatment of diabetes, obesity; sulfonamide or sulfonate-functional thiazole or thiadiazole-substituted indoles; N,N-dimethyl-2-{4-[(2-{7-[methyl(2-thienylsulfonyl)amino]-1H-indol-2-yl}-1,3-thiazol-5-yl)methyl]piperazin-1-yl}acetamide for example TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-04-24 US 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-20100137610-A1 Indole compound GCKR, GPR119, SLC5A1 NR1H2 2566/4885PTGER4 2443/4885NOD2 4157/4885
US-20080096877-A1 Glucokinase activators; prophylaxis or treatment of diabetes, obesity; sulfonamide or sulfonate-functional thiazole or thiadiazole-substituted indoles; N,N-dimethyl-2-{4-[(2-{7-[methyl(2-thienylsulfonyl)amino]-1H-indol-2-yl}-1,3-thiazol-5-yl)methyl]piperazin-1-yl}acetamide for example GCKR, GCK, KHK NR1H2 3220/4885PTGER4 2185/4885NOD2 4176/4885

“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.