SCHEMBL2966007

SCHEMBL2966007

COC(OC)C1CN=C(c2cc3cccc(NS(=O)(=O)c4ccccn4)c3[nH]2)S1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLO1 Q04760 8/20 0.41
SLC40A1 Q9NP59 5/20 0.41
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41
TUBB3 Q13509 1/20 0.41
TUBB2A Q13885 1/20 0.41
TUBB8 Q3ZCM7 1/20 0.41
TUBA3E Q6PEY2 1/20 0.41
TUBA1A Q71U36 1/20 0.41
TUBA1C Q9BQE3 1/20 0.41
TUBB6 Q9BUF5 1/20 0.41
TUBB2B Q9BVA1 1/20 0.41
TUBB1 Q9H4B7 1/20 0.41
MMP2 P08253 2/20 0.37
CGAS Q8N884 1/20 0.35
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL3501853 0.85 MMP2 (0.40) GLO1SLC40A1TUBB4ATUBBTUBA3C
SCHEMBL2961399 0.84
SCHEMBL2660222 0.82 SLC40A1 (0.41) GLO1SLC40A1TUBB4ATUBBTUBA3C
SCHEMBL2660982 0.82 SLC40A1 (0.38) GLO1SLC40A1TUBB4ATUBBTUBA3C
SCHEMBL2668930 0.81 GLO1 (0.41) GLO1SLC40A1MMP2CGASALDH1A1
SCHEMBL2660220 0.80 MMP2 (0.43) GLO1SLC40A1TUBB4ATUBBTUBA3C
SCHEMBL9073038 0.79 SLC40A1 (0.38) GLO1SLC40A1TUBB4ATUBBTUBA3C
SCHEMBL2661075 0.79 GLO1 (0.41) GLO1SLC40A1TUBB4ATUBBTUBA3C
SCHEMBL2660310 0.78 OXTR (0.33)
SCHEMBL2660738 0.77 GLO1 (0.39) GLO1SLC40A1TUBB4ATUBBTUBA3C

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 23 patents — showing the first 20. 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
US-8410087-B2 Indole compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-04-02 US disclosed
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-7777047-B2 Indole compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-17 US 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-20100144702-A1 INDOLE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-10 US disclosed
US-20100144702-A1 INDOLE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-10 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-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-20090286975-A1 Indole compound YASUMA TSUNEO 2009-11-19 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
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 (3 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 GLO1 91/4885SLC40A1 1246/4885TUBB4A 4450/4885
US-20090286975-A1 Indole compound GCKR, GPR119, SLC5A1 GLO1 91/4885SLC40A1 1246/4885TUBB4A 4450/4885
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 GLO1 116/4885SLC40A1 2316/4885TUBB4A 4179/4885

“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.