SCHEMBL2966957

SCHEMBL2966957

CN(c1cccc2cc(-c3ncc(CN4CCN(CC(=O)O)C(=O)C4)s3)[nH]c12)S(=O)(=O)c1cccs1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GCK P35557 3/20 0.33
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
ALDH1A1 P00352 2/20 0.31
KMT2A Q03164 1/20 0.31
F2 P00734 2/20 0.30
F10 P00742 2/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPT P10636 1/20 0.30
CYP2C9 P11712 1/20 0.30
ALOX15 P16050 1/20 0.30
ALOX12 P18054 1/20 0.30
CYP2C19 P33261 1/20 0.30
HTT P42858 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL13203688 0.93 GCK (0.36) GCKLMNAHPGDALDH1A1KMT2A
SCHEMBL13221618 0.92 PIK3CD (0.31) LMNAHPGD
SCHEMBL2963435 0.91 ALDH1A1 (0.34) GCKLMNAHPGDALDH1A1KMT2A
SCHEMBL13348495 0.90
SCHEMBL2661967 0.89 SLC8A1 (0.35) GCKLMNAHPGDALDH1A1
SCHEMBL3499096 0.88 LMNA (0.31) LMNAHPGDALDH1A1
SCHEMBL2660665 0.88 ALDH1A1 (0.40) GCKLMNAHPGDALDH1A1KMT2A
SCHEMBL2968240 0.86 ALDH1A1 (0.34) LMNAHPGDALDH1A1KMT2AHTT
SCHEMBL2660368 0.85 ALDH1A1 (0.44) GCKLMNAHPGDALDH1A1KMT2A
SCHEMBL2659452 0.85 HPGD (0.37) LMNAHPGDALDH1A1KMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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 GCK 4/4885LMNA 4727/4885HPGD 1786/4885
US-20090286975-A1 Indole compound GCKR, GPR119, SLC5A1 GCK 4/4885LMNA 4727/4885HPGD 1786/4885
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 GCK 2/4885LMNA 4653/4885HPGD 1947/4885

“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.