SCHEMBL2976707

SCHEMBL2976707

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

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.33
HTT P42858 2/20 0.33
LMNA P02545 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ALDH1A1 P00352 3/20 0.33
TSHR P16473 4/20 0.32
POLB P06746 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
THRB P10828 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
HPGD P15428 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
SCHEMBL13204120 0.92 RAB9A (0.33) MAPTHTTLMNANPSR1ALDH1A1
SCHEMBL2661551 0.89 LMNA (0.31) MAPTLMNAALDH1A1HPGD
SCHEMBL13531737 0.89 MAPT (0.31) MAPTALDH1A1SMN1; SMN2HPGD
SCHEMBL2660040 0.88 HPGD (0.33) MAPTHTTLMNANPSR1ALDH1A1
Hydrochloric Acid SCHEMBL2968239 0.88 LMNA (0.30) MAPTLMNAHPGD
SCHEMBL3500924 0.88 LMNA (0.31) MAPTHTTLMNANPSR1ALDH1A1
SCHEMBL2659944 0.88 LMNA (0.33) MAPTHTTLMNANPSR1ALDH1A1
SCHEMBL2978038 0.87 ALDH1A1 (0.33) MAPTHTTLMNANPSR1ALDH1A1
SCHEMBL2668776 0.87 NR1H3 (0.32)
SCHEMBL2668893 0.87 MAPT (0.33) MAPTALDH1A1SMN1; SMN2NPC1HPGD

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7777047-B2 Indole compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-17 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 (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-20100137610-A1 Indole compound GCKR, GPR119, SLC5A1 MAPT 4224/4885HTT 1610/4885LMNA 4727/4885
US-20090286975-A1 Indole compound GCKR, GPR119, SLC5A1 MAPT 4224/4885HTT 1610/4885LMNA 4727/4885
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 4496/4885HTT 2080/4885LMNA 4653/4885

“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.