Sugi Predict

Sugi Predict / Compounds / SCHEMBL2659452

SCHEMBL2659452

SCHEMBL2659452

CN(c1cccc2cc(-c3ncc(CN4CCCC4)s3)[nH]c12)S(=O)(=O)c1cccs1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.37
▸ LMNA P02545 2/20 0.37
▸ ALDH1A1 P00352 5/20 0.34
▸ USP2 O75604 1/20 0.34
▸ CNR1 P21554 1/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ SMN1; SMN2 Q16637 6/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ ADORA2A P29274 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ MAPK1 P28482 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ RECQL P46063 1/20 0.31
▸ KMT2A Q03164 2/20 0.30
▸ RAB9A P51151 2/20 0.30
▸ HTT P42858 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ NPC1 O15118 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
SCHEMBL13203291 0.99 HPGD (0.38) HPGDLMNAALDH1A1USP2CNR1
SCHEMBL2659846 0.94 HPGD (0.33) HPGDLMNAALDH1A1USP2CNR1
SCHEMBL2659729 0.94 NPC1 (0.33) HPGDLMNAALDH1A1CNR1CNR2
SCHEMBL1654202 0.94 HTT (0.35) HPGDLMNAALDH1A1CNR1CNR2
Trifluoroacetic Acid SCHEMBL2977951 0.93 LMNA (0.36) HPGDLMNAALDH1A1USP2CNR1
SCHEMBL2661550 0.93 LMNA (0.36) HPGDLMNAALDH1A1CNR1CNR2
Trifluoroacetic Acid SCHEMBL2660264 0.93 LMNA (0.37) HPGDLMNAALDH1A1USP2CNR1
SCHEMBL13203319 0.92 SMN1; SMN2 (0.35) HPGDLMNAALDH1A1USP2CNR1
SCHEMBL13203621 0.92 ALDH1A1 (0.33) HPGDLMNAALDH1A1USP2SMN1; SMN2
SCHEMBL2661553 0.91 LMNA (0.33) HPGDLMNAALDH1A1CNR1CNR2

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 20 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-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-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-20100137610-A1 Indole compound YASUMA TSUNEO 2010-06-03 — — 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-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
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
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

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 HPGD 1786/4885LMNA 4727/4885ALDH1A1 376/4885
US-20100137610-A1 Indole compound GCKR, GPR119, SLC5A1 HPGD 1786/4885LMNA 4727/4885ALDH1A1 376/4885
US-20090286975-A1 Indole compound GCKR, GPR119, SLC5A1 HPGD 1786/4885LMNA 4727/4885ALDH1A1 376/4885
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 HPGD 1947/4885LMNA 4653/4885ALDH1A1 296/4885

“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.