SCHEMBL2659685

SCHEMBL2659685

CN(c1cccc2cc(C3=NCC(CN4CCS(O)(O)CC4)S3)[nH]c12)S(=O)(=O)c1cccs1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.33
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
GCK P35557 1/20 0.32
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL2659683 0.94 MAPT (0.35) MAPTCNR1CNR2GCKLMNA
SCHEMBL2659888 0.92 HTR1A (0.33) MAPTLMNAHPGDALDH1A1SMN1; SMN2
SCHEMBL2661138 0.90 CNR1 (0.31) MAPTCNR1CNR2LMNAHPGD
SCHEMBL2660053 0.89 GCKR (0.33) MAPTCNR1CNR2LMNAHPGD
SCHEMBL2967074 0.89 LMNA (0.36) MAPTLMNAHPGDALDH1A1SMN1; SMN2
SCHEMBL13203697 0.89 ALDH1A1 (0.33) CNR1CNR2LMNAHPGDALDH1A1
SCHEMBL2660709 0.89 ALDH1A1 (0.42) CNR1CNR2LMNAHPGDALDH1A1
Hydrochloric Acid SCHEMBL2978330 0.88 GCKR (0.33) MAPTCNR1CNR2LMNAHPGD
SCHEMBL2668766 0.88 CNR1 (0.30) CNR1CNR2
SCHEMBL2659887 0.86 MAPT (0.35) MAPTGCKLMNA

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 MAPT 4224/4885CNR1 826/4885CNR2 1447/4885
US-20100137610-A1 Indole compound GCKR, GPR119, SLC5A1 MAPT 4224/4885CNR1 826/4885CNR2 1447/4885
US-20090286975-A1 Indole compound GCKR, GPR119, SLC5A1 MAPT 4224/4885CNR1 826/4885CNR2 1447/4885
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 MAPT 4496/4885CNR1 2085/4885CNR2 2171/4885

“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.