SCHEMBL2971503

SCHEMBL2971503

Cc1cc(N(C)S(=O)(=O)c2cccs2)c2[nH]c(C3=NCC(CNC(=O)O)S3)cc2c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 3/20 0.33
TSHR P16473 3/20 0.33
NPSR1 Q6W5P4 3/20 0.33
MAPT P10636 3/20 0.33
POLB P06746 2/20 0.33
HTT P42858 2/20 0.33
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
PKM P14618 1/20 0.31
THRB P10828 1/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 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
SCHEMBL2668880 0.90 L3MBTL1 (0.33) L3MBTL1ALDH1A1TSHRNPSR1MAPT
SCHEMBL13204383 0.90 MAPK1 (0.35) L3MBTL1ALDH1A1TSHRMAPTPOLB
SCHEMBL2969663 0.88 L3MBTL1 (0.33) L3MBTL1ALDH1A1TSHRNPSR1MAPT
SCHEMBL2668689 0.88 L3MBTL1 (0.32) L3MBTL1ALDH1A1TSHRNPSR1MAPT
SCHEMBL2668693 0.88 L3MBTL1 (0.31) L3MBTL1ALDH1A1TSHRNPSR1MAPT
SCHEMBL13083411 0.86 ALDH1A1 (0.37) L3MBTL1ALDH1A1TSHRNPSR1MAPT
SCHEMBL3501657 0.86 RAB9A (0.33) L3MBTL1ALDH1A1TSHRMAPTPOLB
SCHEMBL2978038 0.85 ALDH1A1 (0.33) L3MBTL1ALDH1A1TSHRNPSR1MAPT
SCHEMBL2976707 0.84 MAPT (0.33) L3MBTL1ALDH1A1TSHRNPSR1MAPT
SCHEMBL3499830 0.83 L3MBTL1 (0.32) L3MBTL1ALDH1A1NPSR1MAPTPOLB

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 7 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
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 L3MBTL1 2173/4885ALDH1A1 376/4885TSHR 857/4885
US-20090286975-A1 Indole compound GCKR, GPR119, SLC5A1 L3MBTL1 2173/4885ALDH1A1 376/4885TSHR 857/4885
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 L3MBTL1 2104/4885ALDH1A1 296/4885TSHR 580/4885

“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.