SCHEMBL2968477

SCHEMBL2968477

COCCOc1cc(N(C)S(=O)(=O)c2ccccn2)c2[nH]c(C3=NC(CO)CS3)cc2c1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OXTR P30559 1/20 0.32
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
TYK2 P29597 1/20 0.31
HTR2B P41595 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
SCHEMBL2660404 1.00 OXTR (0.32) OXTRJAK2JAK1TYK2HTR2B
SCHEMBL2967653 1.00 OXTR (0.32) OXTRJAK2JAK1TYK2HTR2B
SCHEMBL2662013 0.90 JAK2 (0.30) JAK2JAK1TYK2
SCHEMBL2668694 0.90 OXTR (0.31) OXTRJAK2JAK1TYK2
SCHEMBL2968906 0.90 OXTR (0.31) OXTRJAK2JAK1TYK2
SCHEMBL2668889 0.89 HTR2B (0.33) JAK2JAK1TYK2HTR2B
SCHEMBL2668747 0.88 NFE2L2 (0.33)
SCHEMBL2659792 0.85 OXTR (0.32) OXTRJAK2JAK1TYK2
SCHEMBL2975450 0.82 OXTR (0.30) OXTR
SCHEMBL2971595 0.81 PTGER2 (0.31) OXTRJAK2JAK1TYK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2508524-A2 Indole compound Takeda Pharmaceutical Company Limited (JP) 2012-10-10 EP claimed
US-20100144702-A1 INDOLE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-10 US claimed
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 claimed
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
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 OXTR 1731/4885JAK2 215/4885JAK1 1373/4885
US-20100137610-A1 Indole compound GCKR, GPR119, SLC5A1 OXTR 1731/4885JAK2 215/4885JAK1 1373/4885
US-20090286975-A1 Indole compound GCKR, GPR119, SLC5A1 OXTR 1731/4885JAK2 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 OXTR 2325/4885JAK2 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.