SCHEMBL2653697

SCHEMBL2653697

CC[S+]([O-])c1ccc(F)c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
SLC6A4 P31645 3/20 0.36
SLC6A3 Q01959 3/20 0.36
KMT2A Q03164 3/20 0.36
SLC6A2 P23975 2/20 0.36
MEN1 O00255 2/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TRPA1 O75762 1/20 0.35
PTGS2 P35354 2/20 0.34
BRD9 Q9H8M2 2/20 0.34
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KDM4E B2RXH2 1/20 0.33
RAPGEF4 Q8WZA2 1/20 0.33
PLA2G1B P04054 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL13461648 0.79 CYP3A4 (0.41) NPC1RAB9ASMN1; SMN2PTGS2ALDH1A1
SCHEMBL20384171 0.79 PTGS2 (0.37) TSHRSLC6A4SLC6A3KMT2ASLC6A2
SCHEMBL20384257 0.78 CYP1A2 (0.36) NPSR1KDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL21728911 0.78 CYP3A4 (0.42) TSHRSLC6A4SLC6A3SLC6A2SMN1; SMN2
SCHEMBL7332889 0.76 LMNA (0.38) TSHRSLC6A4SLC6A3KMT2ASLC6A2
SCHEMBL20384389 0.76 TSHR (0.37) TSHRKMT2AMEN1NPC1RAB9A
SCHEMBL20048649 0.75 SOS1 (0.38) SLC6A4SLC6A3KMT2AMEN1PTGS2
SCHEMBL5761306 0.74 KDM1A (0.36)
SCHEMBL20226666 0.74 ALDH1A1 (0.42) ALDH1A1
SCHEMBL4591796 0.73 MEN1 (0.41) TSHRSLC6A4SLC6A3KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1756076-B1 HETROARYL BENZAMIDE DERIVATIVES FOR USE AS GLK ACTIVATORS IN THE TREATMENT OF DIABETES ASTRAZENECA AB (SE) 2010-08-11 EP disclosed
EP-1756076-B1 HETROARYL BENZAMIDE DERIVATIVES FOR USE AS GLK ACTIVATORS IN THE TREATMENT OF DIABETES ASTRAZENECA AB (SE) 2010-08-11 EP disclosed
US-7745475-B2 Such as 3-[(1S)-2-hydroxy-1-methylethoxy]-5-[4-(methylsulfonyl)phenoxy]-N-1,3-thiazol-2-ylbenzamide; glucokinases (Glk) ASTRAZENECA AB (SE) 2010-06-29 US disclosed
US-7745475-B2 Such as 3-[(1S)-2-hydroxy-1-methylethoxy]-5-[4-(methylsulfonyl)phenoxy]-N-1,3-thiazol-2-ylbenzamide; glucokinases (Glk) ASTRAZENECA AB (SE) 2010-06-29 US disclosed
US-7745475-B2 Such as 3-[(1S)-2-hydroxy-1-methylethoxy]-5-[4-(methylsulfonyl)phenoxy]-N-1,3-thiazol-2-ylbenzamide; glucokinases (Glk) ASTRAZENECA AB (SE) 2010-06-29 US disclosed
US-20090253676-A1 Heteroaryl Benzamide Derivatives for Use as GLK Activators in the Treatment of Diabetes ASTRAZENECA AB (SE) 2009-10-08 US disclosed
US-20090253676-A1 Heteroaryl Benzamide Derivatives for Use as GLK Activators in the Treatment of Diabetes ASTRAZENECA AB (SE) 2009-10-08 US disclosed
US-20090253676-A1 Heteroaryl Benzamide Derivatives for Use as GLK Activators in the Treatment of Diabetes ASTRAZENECA AB (SE) 2009-10-08 US disclosed
EP-1992623-A1 Heteroaryl benzamide derivative for use as GLK activator in the treatment of diabetes Astra Zeneca AB (SE) 2008-11-19 EP disclosed
US-20080015203-A1 Heteroaryl Benzamide Derivatives for Use as Glk Activators in the Treatment of Diabetes ASTRAZENECA AB (SE) 2008-01-17 US disclosed
US-20080015203-A1 Heteroaryl Benzamide Derivatives for Use as Glk Activators in the Treatment of Diabetes ASTRAZENECA AB (SE) 2008-01-17 US disclosed
US-20080015203-A1 Heteroaryl Benzamide Derivatives for Use as Glk Activators in the Treatment of Diabetes ASTRAZENECA AB (SE) 2008-01-17 US disclosed
CN-101018773-A Heteroaryl benzamide derivatives for use as GLK activators in the treatment of diabetes ASTRAZENECA AB (SE) 2007-08-15 CN disclosed
EP-1756076-A1 HETROARYL BENZAMIDE DERIVATIVES FOR USE AS GLK ACTIVATORS IN THE TREATMENT OF DIABETES AstraZeneca AB (SE) 2007-02-28 EP disclosed
WO-2005121110-A1 HETROARYL BENZAMIDE DERIVATIVES FOR USE AS GLK ACTIVATORS IN THE TREATMENT OF DIABETES ASTRAZENECA AB (SE) 2005-12-22 WO 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 (2 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-20080015203-A1 Heteroaryl Benzamide Derivatives for Use as Glk Activators in the Treatment of Diabetes GRK4, GRK5, GRK2 TSHR 1150/4885SLC6A4 1764/4885SLC6A3 3053/4885
US-20090253676-A1 Heteroaryl Benzamide Derivatives for Use as GLK Activators in the Treatment of Diabetes GRK4, GRK5, GRK2 TSHR 866/4885SLC6A4 1462/4885SLC6A3 2698/4885

“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.