SCHEMBL2668615

SCHEMBL2668615

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

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
USP2 O75604 1/20 0.33
GAA P10253 1/20 0.32
HDAC1 Q13547 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
KDM4E B2RXH2 1/20 0.31
OXTR P30559 1/20 0.31
LMNA P02545 2/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 2/20 0.30
ADORA2A P29274 1/20 0.30
PKM P14618 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 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
SCHEMBL13203366 0.99 ALDH1A1 (0.32) ALDH1A1USP2GAAHDAC1CNR1
Trifluoroacetic Acid SCHEMBL2661305 0.94 SLC2A1 (0.32) HDAC1LMNAHPGD
SCHEMBL13083401 0.93 SMN1; SMN2 (0.34) ALDH1A1USP2GAAKDM4ELMNA
Trifluoroacetic Acid SCHEMBL2660463 0.93 HDAC1 (0.32) HDAC1LMNAHPGDSMN1; SMN2
SCHEMBL9073032 0.92 MEN1 (0.30) OXTR
SCHEMBL13203369 0.92 OGA (0.32) ALDH1A1CNR1CNR2OXTRMAPT
SCHEMBL2659452 0.91 HPGD (0.37) ALDH1A1USP2GAAHDAC1CNR1
SCHEMBL2659475 0.91 ALDH1A1 (0.37) ALDH1A1GAALMNATSHRPKM
SCHEMBL13203371 0.91 MEN1 (0.35) ALDH1A1CNR1CNR2KDM4ELMNA
SCHEMBL13203357 0.90 CNR1 (0.33) CNR1CNR2MAPT

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 13 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
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-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
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

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 ALDH1A1 376/4885USP2 3073/4885GAA 598/4885
US-20100137610-A1 Indole compound GCKR, GPR119, SLC5A1 ALDH1A1 376/4885USP2 3073/4885GAA 598/4885
US-20090286975-A1 Indole compound GCKR, GPR119, SLC5A1 ALDH1A1 376/4885USP2 3073/4885GAA 598/4885
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 296/4885USP2 3044/4885GAA 723/4885

“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.