SCHEMBL2659587

SCHEMBL2659587

COCCOc1cc(N(C)S(=O)(=O)c2ccccn2)c2[nH]c(C(N)=O)cc2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LGALS8 O00214 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
PTGER2 P43116 4/20 0.34
KDM4E B2RXH2 1/20 0.34
TP53 P04637 2/20 0.33
MAPT P10636 2/20 0.33
LMNA P02545 1/20 0.33
THRB P10828 1/20 0.33
CHEK1 O14757 1/20 0.33
CHEK2 O96017 1/20 0.33
PDGFRB P09619 2/20 0.32
PDGFRA P16234 2/20 0.32
SYK P43405 2/20 0.32
POLB P06746 1/20 0.32
CFD P00746 1/20 0.32
RPS6KB1 P23443 2/20 0.31
DYRK3 O43781 1/20 0.31
MAP4K4 O95819 1/20 0.31

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
SCHEMBL2659523 0.92 PTGER2 (0.36) LGALS8JAK2JAK1TYK2PTGER2
SCHEMBL9072974 0.91 XDH (0.38) LGALS8JAK2JAK1TYK2PTGER2
SCHEMBL2668818 0.89 KDM4E (0.39) LGALS8JAK2JAK1TYK2PTGER2
SCHEMBL2659717 0.88 PTGER2 (0.36) LGALS8PTGER2KDM4ETP53MAPT
SCHEMBL2660086 0.84 KDM4E (0.39) LGALS8PTGER2KDM4ETP53MAPT
SCHEMBL13326967 0.84 PTGER2 (0.37) LGALS8PTGER2KDM4ETP53MAPT
SCHEMBL2661074 0.82 LMNA (0.37) MAPTLMNATHRBPOLB
SCHEMBL2659774 0.82 TP53 (0.38) PTGER2TP53MAPTLMNAPOLB
SCHEMBL2659674 0.81 FFAR1 (0.35) LGALS8PTGER2KDM4EPDGFRBPDGFRA
SCHEMBL2660616 0.81 PTGER2 (0.41) LGALS8PTGER2KDM4ETP53MAPT

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 11 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-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 LGALS8 1304/4885JAK2 215/4885JAK1 1373/4885
US-20100137610-A1 Indole compound GCKR, GPR119, SLC5A1 LGALS8 1304/4885JAK2 215/4885JAK1 1373/4885
US-20090286975-A1 Indole compound GCKR, GPR119, SLC5A1 LGALS8 1304/4885JAK2 215/4885JAK1 1373/4885
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 LGALS8 1575/4885JAK2 497/4885JAK1 1097/4885

“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.