SCHEMBL13203992

SCHEMBL13203992

COC(OC)C(CNC(=O)OC(C)(C)C)SCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.51
SYK P43405 1/20 0.49
PPARA Q07869 4/20 0.46
PPARG P37231 3/20 0.46
ATM Q13315 1/20 0.44
PPARD Q03181 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
CTSS P25774 4/20 0.42
CTSK P43235 3/20 0.42
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA7 P43166 1/20 0.41
CA14 Q9ULX7 1/20 0.41
AKT1 P31749 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
APP P05067 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL2968659 0.84 L3MBTL1 (0.43) PPARAPPARGATMNPSR1MEN1
SCHEMBL13203995 0.80 IDO1 (0.53) IDO1SYKPPARAPPARGATM
SCHEMBL7408782 0.78 PPARG (0.46) IDO1SYKPPARAPPARGATM
SCHEMBL7403869 0.78 PPARG (0.46) IDO1SYKPPARAPPARGATM
SCHEMBL7403870 0.78 PPARG (0.46) IDO1SYKPPARAPPARGATM
SCHEMBL5522238 0.76 CTSS (0.60) IDO1CTSSCTSKCTSLCTSB
SCHEMBL3497904 0.73 MEN1 (0.42) PPARAPPARGATMMEN1KMT2A
SCHEMBL8932405 0.72 PPARG (0.52) IDO1SYKPPARAPPARGMEN1
SCHEMBL2736627 0.72 ATM (0.56) IDO1SYKATMCTSSCTSK
SCHEMBL10238709 0.72 ATM (0.56) IDO1SYKATMCTSSCTSK

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 9 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-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-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 (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 IDO1 9/4885SYK 1337/4885PPARA 1436/4885
US-20100137610-A1 Indole compound GCKR, GPR119, SLC5A1 IDO1 9/4885SYK 1337/4885PPARA 1436/4885
US-20090286975-A1 Indole compound GCKR, GPR119, SLC5A1 IDO1 9/4885SYK 1337/4885PPARA 1436/4885
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 IDO1 96/4885SYK 1117/4885PPARA 218/4885

“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.