SCHEMBL13408593

SCHEMBL13408593

CC(C)(C)OC(=O)CN(Sc1cc(Cl)cc(Cl)c1)c1ccc2c(ccn2-c2cccc(C(=O)O)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.41
PIM1 P11309 1/20 0.41
PIM3 Q86V86 1/20 0.41
HPGD P15428 1/20 0.36
HPGDS O60760 1/20 0.34
DGAT1 O75907 2/20 0.34
ENPP2 Q13822 3/20 0.33
CYP2C9 P11712 2/20 0.33
PTGER1 P34995 2/20 0.33
PDE5A O76074 1/20 0.33
MMP13 P45452 1/20 0.32
RECQL P46063 3/20 0.32
TDP1 Q9NUW8 3/20 0.32
PTP4A3 O75365 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.32
PTK2 Q05397 1/20 0.31
POLB P06746 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 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
SCHEMBL13409155 0.84 DGAT1 (0.37) ROCK2PIM1PIM3DGAT1
SCHEMBL13409481 0.84 DGAT1 (0.42) ROCK2PIM1PIM3DGAT1
SCHEMBL13409162 0.83 DGAT1 (0.36) DGAT1
SCHEMBL11956686 0.83 TSHR (0.39) L3MBTL1MEN1KMT2A
SCHEMBL3297098 0.83 ROCK2 (0.41) ROCK2PIM1PIM3HPGDHPGDS
SCHEMBL13408613 0.83 ROCK2 (0.55) ROCK2PIM1PIM3HPGDHPGDS
SCHEMBL13409212 0.81 ROCK2 (0.42) ROCK2PIM1PIM3HPGDHPGDS
SCHEMBL13408579 0.81 DGAT1 (0.35) HPGDDGAT1MMP13
SCHEMBL14107598 0.80 MEN1 (0.44) HPGDPOLBMEN1KMT2A
SCHEMBL3301282 0.79 ROCK2 (0.44) ROCK2PIM1PIM3HPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100093703-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 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 (1 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-20100093703-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS PYGL, PYGM, G6PC1 ROCK2 1978/4885PIM1 600/4885PIM3 981/4885

“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.