SCHEMBL2659949

SCHEMBL2659949

CCN(c1ccc(C)c2cc(-c3ncc(CN4CCN(C(C)=O)CC4)s3)[nH]c12)S(=O)(=O)c1cccs1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.37
SMN1; SMN2 Q16637 6/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPT P10636 3/20 0.33
KMT2A Q03164 1/20 0.33
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
RECQL P46063 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
OGA O60502 1/20 0.32
KDM4E B2RXH2 1/20 0.32
PKM P14618 1/20 0.32
GCK P35557 1/20 0.32
THRB P10828 1/20 0.32
RAB9A P51151 1/20 0.31
NTRK1 P04629 1/20 0.31
OXTR P30559 1/20 0.31
TP53 P04637 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
SCHEMBL2971603 0.91 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2HSD17B10MAPTKMT2A
SCHEMBL2659475 0.89 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2HSD17B10KMT2AGAA
SCHEMBL1653362 0.85 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2HSD17B10MAPTKMT2A
SCHEMBL13348338 0.85 MAPT (0.34) ALDH1A1SMN1; SMN2HSD17B10MAPTKMT2A
SCHEMBL2660486 0.84 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2MAPTKMT2AGAA
SCHEMBL2968702 0.84 MAPT (0.35) ALDH1A1SMN1; SMN2HSD17B10MAPTKMT2A
SCHEMBL2668838 0.83 SMN1; SMN2 (0.35) SMN1; SMN2HSD17B10KMT2AL3MBTL1OGA
SCHEMBL2668547 0.83 HSD17B10 (0.44) ALDH1A1SMN1; SMN2HSD17B10MAPTKMT2A
SCHEMBL2660658 0.82 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2HSD17B10OGAPKM
SCHEMBL9073034 0.82 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2HSD17B10L3MBTL1OGA

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 29 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
CN-101573357-B Indole compound TAKAEDA CHEMICAL IND LTD 2013-01-23 CN 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-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
CN-101573357-A Indole compound TAKEDA PHARMACEUTICAL (JP) 2009-11-04 CN 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
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 ALDH1A1 376/4885SMN1; SMN2 4708/4885HSD17B10 579/4885
US-20090286975-A1 Indole compound GCKR, GPR119, SLC5A1 ALDH1A1 376/4885SMN1; SMN2 4708/4885HSD17B10 579/4885
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 ALDH1A1 296/4885SMN1; SMN2 4181/4885HSD17B10 1417/4885

“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.