SCHEMBL964805

SCHEMBL964805

COc1cc(C)ccc1S(=O)(=O)NC(=O)/C=C/c1c(C)nn(C)c1-n1ccc2cc(Cl)cnc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEP1B Q16820 1/20 0.35
ALPL P05186 2/20 0.35
MAPT P10636 2/20 0.34
UBE2N P61088 1/20 0.34
EDNRB P24530 1/20 0.33
EDNRA P25101 1/20 0.33
PTGER3 P43115 2/20 0.32
NAMPT P43490 2/20 0.32
NR3C1 P04150 1/20 0.31
RAPGEF3 O95398 1/20 0.31
ENPP3 O14638 1/20 0.31
ENPP1 P22413 1/20 0.31
SMN1; SMN2 Q16637 4/20 0.31
ALDH1A1 P00352 2/20 0.31
KMT2A Q03164 2/20 0.31
CRHBP P24387 2/20 0.31
CRHR2 Q13324 2/20 0.31
NR2F2 P24468 1/20 0.31
HTT P42858 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
SCHEMBL964807 1.00 MEP1B (0.35) MEP1BALPLMAPTUBE2NEDNRB
SCHEMBL966762 0.90 SPR (0.33) MAPTPTGER3ENPP3ENPP1SMN1; SMN2
SCHEMBL966761 0.90 SPR (0.33) MAPTPTGER3ENPP3ENPP1SMN1; SMN2
SCHEMBL963030 0.86 ENPP3 (0.43) MAPTPTGER3ENPP3ENPP1SMN1; SMN2
SCHEMBL963031 0.86 ENPP3 (0.43) MAPTPTGER3ENPP3ENPP1SMN1; SMN2
SCHEMBL967737 0.81 EDNRB (0.38) MEP1BALPLEDNRBEDNRAPTGER3
SCHEMBL967736 0.81 EDNRB (0.38) MEP1BALPLEDNRBEDNRAPTGER3
SCHEMBL968579 0.80 PPARG (0.37) MAPTNR3C1SMN1; SMN2ALDH1A1NR2F2
SCHEMBL968581 0.80 PPARG (0.37) MAPTNR3C1SMN1; SMN2ALDH1A1NR2F2
SCHEMBL964296 0.79 HPGD (0.36) MAPTSMN1; SMN2ALDH1A1NR2F2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-01-13 US disclosed
EP-2118066-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA Takeda Pharmaceutical Company Limited (JP) 2009-11-18 EP disclosed
WO-2008099794-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-08-21 WO disclosed
US-20080194617-A1 Fused ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-08-14 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 (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-20080194617-A1 Fused ring compound SLC5A1, SLC5A2, GPR119 MEP1B 1752/4885ALPL 1951/4885MAPT 4343/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG MEP1B 3025/4885ALPL 2252/4885MAPT 4720/4885

“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.