SCHEMBL2318672

SCHEMBL2318672

Cc1ccc(S(=O)(=O)n2ccc3nc(CNC(=O)O)cnc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.46
POLB P06746 1/20 0.38
ALDH3A1 P30838 1/20 0.38
HTT P42858 1/20 0.38
NOD1 Q9Y239 1/20 0.38
RAB9A P51151 2/20 0.37
ENPP3 O14638 1/20 0.37
ENPP1 P22413 1/20 0.37
VEGFA P15692 1/20 0.37
EGLN1 Q9GZT9 1/20 0.37
PPARG P37231 1/20 0.37
SLC1A3 P43003 1/20 0.37
SLC1A2 P43004 1/20 0.37
SLC1A1 P43005 1/20 0.37
RAPGEF4 Q8WZA2 1/20 0.36
BRD4 O60885 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PTPN11 Q06124 1/20 0.36
ALOX5 P09917 1/20 0.36
PTGS2 P35354 1/20 0.36

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
SCHEMBL2359779 0.91 L3MBTL1 (0.45) L3MBTL1POLBALDH3A1HTTNOD1
SCHEMBL18855846 0.87 L3MBTL1 (0.49) L3MBTL1POLBALDH3A1HTTNOD1
SCHEMBL12389611 0.87 CA12 (0.42) L3MBTL1POLBBRD4
SCHEMBL20684438 0.86 L3MBTL1 (0.48) L3MBTL1POLBALDH3A1HTTNOD1
SCHEMBL1536085 0.85 HPGD (0.47) POLBNPSR1CYP2C19ALDH1A1TP53
SCHEMBL1536777 0.85 L3MBTL1 (0.51) L3MBTL1POLBALDH3A1HTTNOD1
SCHEMBL2317967 0.84 L3MBTL1 (0.46) L3MBTL1POLBALDH3A1HTTNOD1
SCHEMBL4347399 0.84 L3MBTL1 (0.37) L3MBTL1POLBRAB9AENPP3ENPP1
SCHEMBL18855958 0.83 L3MBTL1 (0.46) L3MBTL1POLBALDH3A1HTTNOD1
SCHEMBL1536172 0.83 L3MBTL1 (0.49) L3MBTL1POLBALDH3A1HTTNOD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140349970-A1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC. (US) 2014-11-27 US disclosed
WO-2014169473-A1 6H-IMIDAZO[1,5-a]PYRROLO[2,3-e]PYRAZINE COMPOUNDS ABBVIE INC. (US) 2014-10-23 WO disclosed
US-20140315883-A1 6H-IMIDAZO[1,5-a]PYRROLO[2,3-e]PYRAZINE COMPOUNDS ABBVIE INC. (US) 2014-10-23 US disclosed
US-8785639-B2 Substituted dihydropyrazolo[3,4-D]pyrrolo[2,3-B]pyridines and methods of use thereof ABBVIE INC. (US) 2014-07-22 US disclosed
EP-2506713-A1 NOVEL TRICYCLIC COMPOUNDS Abbott Laboratories (US) 2012-10-10 EP disclosed
US-20110190489-A1 Novel Tricyclic Compounds ABBOTT LABORATORIES (US) 2011-08-04 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 (3 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-20140315883-A1 6H-IMIDAZO[1,5-a]PYRROLO[2,3-e]PYRAZINE COMPOUNDS IL5, IL2, IL15 L3MBTL1 4548/4885POLB 2077/4885ALDH3A1 319/4885
US-20140349970-A1 NOVEL TRICYCLIC COMPOUNDS CCNI, IL2, IL4I1 L3MBTL1 4805/4885POLB 2384/4885ALDH3A1 453/4885
US-20110190489-A1 Novel Tricyclic Compounds CCNI, IL2, IL4I1 L3MBTL1 4805/4885POLB 2384/4885ALDH3A1 453/4885

“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.