SCHEMBL2962663

SCHEMBL2962663

COCCOc1cc(N(C)S(=O)(=O)c2cccs2)c2[nH]c(C3=NCC(CCO)S3)cc2c1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
ALDH1A1 P00352 2/20 0.33
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
PKM P14618 1/20 0.30
TSHR P16473 1/20 0.30
ATM Q13315 1/20 0.30
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30
APH1B Q8WW43 1/20 0.30
NCSTN Q92542 1/20 0.30
APH1A Q96BI3 1/20 0.30
PSENEN Q9NZ42 1/20 0.30

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
SCHEMBL13360125 0.91 LMNA (0.34) LMNAHPGDALDH1A1CNR1CNR2
SCHEMBL2966555 0.91 LMNA (0.33) LMNAHPGDALDH1A1CNR1CNR2
SCHEMBL13360135 0.90 CNR1 (0.31) LMNAHPGDALDH1A1CNR1CNR2
SCHEMBL2978195 0.90 LMNA (0.33) LMNAHPGDALDH1A1CNR1CNR2
SCHEMBL13327426 0.88 ALDH1A1 (0.37) LMNAHPGDALDH1A1CNR1CNR2
SCHEMBL2968365 0.87 NR1H3 (0.33) LMNAHPGDALDH1A1HTTKMT2A
SCHEMBL2660344 0.86 ALDH1A1 (0.34) LMNAHPGDALDH1A1CNR1CNR2
SCHEMBL2668689 0.86 L3MBTL1 (0.32) LMNAHPGDALDH1A1CNR1CNR2
SCHEMBL2660040 0.85 HPGD (0.33) LMNAHPGDALDH1A1CNR1CNR2
SCHEMBL3499094 0.84 LMNA (0.32) LMNAHPGDALDH1A1CNR1CNR2

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 9 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
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 LMNA 4727/4885HPGD 1786/4885ALDH1A1 376/4885
US-20100137610-A1 Indole compound GCKR, GPR119, SLC5A1 LMNA 4727/4885HPGD 1786/4885ALDH1A1 376/4885
US-20090286975-A1 Indole compound GCKR, GPR119, SLC5A1 LMNA 4727/4885HPGD 1786/4885ALDH1A1 376/4885
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 LMNA 4653/4885HPGD 1947/4885ALDH1A1 296/4885

“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.