SCHEMBL2661553

SCHEMBL2661553

CN(c1cccc2cc(-c3ncc(CN4CCS(O)(O)CC4)s3)[nH]c12)S(=O)(=O)c1cccs1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.33
HPGD P15428 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.31
HTT P42858 1/20 0.30
KMT2A Q03164 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
SCHEMBL2661550 0.94 LMNA (0.36) LMNAHPGDALDH1A1KDM4ENPC1
SCHEMBL2659452 0.91 HPGD (0.37) LMNAHPGDALDH1A1NPC1RAB9A
SCHEMBL2659846 0.91 HPGD (0.33) LMNAHPGDALDH1A1CNR1CNR2
SCHEMBL13203291 0.91 HPGD (0.38) LMNAHPGDALDH1A1CNR1CNR2
SCHEMBL1654202 0.90 HTT (0.35) LMNAHPGDALDH1A1NPC1CNR1
SCHEMBL2659729 0.90 NPC1 (0.33) LMNAHPGDALDH1A1NPC1RAB9A
SCHEMBL13203295 0.89 OGA (0.33) LMNAHPGDALDH1A1CNR1CNR2
SCHEMBL2660368 0.89 ALDH1A1 (0.44) LMNAHPGDALDH1A1SMN1; SMN2HTT
SCHEMBL13203259 0.89 LMNA (0.33) LMNAHPGDALDH1A1CNR1CNR2
SCHEMBL2963435 0.89 ALDH1A1 (0.34) LMNAHPGDALDH1A1NPC1RAB9A

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 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.