SCHEMBL2659926

SCHEMBL2659926

CCOC(=O)c1cc2cc(OCCCOC)cc(NS(=O)(=O)c3ccccn3)c2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC40A1 Q9NP59 2/20 0.41
POLB P06746 1/20 0.41
METAP2 P50579 1/20 0.40
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 3/20 0.39
NPC1 O15118 3/20 0.39
LMNA P02545 3/20 0.39
GAA P10253 3/20 0.39
RAB9A P51151 2/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
GLA P06280 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GLO1 Q04760 2/20 0.39
LGALS8 O00214 1/20 0.39
HTT P42858 2/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL2660818 0.96 SLC40A1 (0.42) SLC40A1POLBMETAP2KDM4EALDH1A1
SCHEMBL2659994 0.91 SLC40A1 (0.41) SLC40A1POLBMETAP2KDM4EALDH1A1
SCHEMBL2660085 0.87 POLB (0.41) SLC40A1POLBKDM4EALDH1A1HPGD
SCHEMBL2659731 0.85 METAP2 (0.43) SLC40A1METAP2GLO1LGALS8MMP2
SCHEMBL2660086 0.82 KDM4E (0.39) POLBKDM4EALDH1A1HPGDNPC1
SCHEMBL2659920 0.79 KDM4E (0.37) POLBKDM4EALDH1A1HPGDNPC1
SCHEMBL2660059 0.79 ALDH1A1 (0.46) POLBALDH1A1HPGDLMNAGAA
SCHEMBL2661711 0.79 POLB (0.38) SLC40A1POLBKDM4EALDH1A1HPGD
SCHEMBL2660187 0.79 POLB (0.38) SLC40A1POLBKDM4EALDH1A1HPGD
SCHEMBL2659355 0.78 MMP2 (0.38) SLC40A1POLBKDM4EALDH1A1HPGD

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-8410087-B2 Indole compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-04-02 US disclosed
EP-2508524-A2 Indole compound Takeda Pharmaceutical Company Limited (JP) 2012-10-10 EP disclosed
US-7777047-B2 Indole compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-17 US disclosed
US-20100144702-A1 INDOLE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-10 US disclosed
US-20100137610-A1 Indole compound YASUMA TSUNEO 2010-06-03 US disclosed
US-7718798-B2 Indole compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-18 US disclosed
US-7718798-B2 Indole compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-18 US disclosed
US-7718798-B2 Indole compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-18 US disclosed
US-7652133-B2 Indole compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-26 US disclosed
US-20090286975-A1 Indole compound YASUMA TSUNEO 2009-11-19 US disclosed
EP-2074119-A1 INDOLE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-07-01 EP disclosed
WO-2008050821-A1 INDOLE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-02 WO 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 (4 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-20100144702-A1 INDOLE COMPOUND GCKR, GPR119, SLC5A1 SLC40A1 1246/4885POLB 4570/4885METAP2 602/4885
US-20100137610-A1 Indole compound GCKR, GPR119, SLC5A1 SLC40A1 1246/4885POLB 4570/4885METAP2 602/4885
US-20090286975-A1 Indole compound GCKR, GPR119, SLC5A1 SLC40A1 1246/4885POLB 4570/4885METAP2 602/4885
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 SLC40A1 2316/4885POLB 4403/4885METAP2 637/4885

“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.