SCHEMBL1933401

SCHEMBL1933401

Cc1ccc(S(=O)(=O)n2cc(Br)c3nc(CN(C(=O)O)C(C)(C)C)cnc32)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
PTPN11 Q06124 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
ENPP3 O14638 1/20 0.33
ENPP1 P22413 1/20 0.33
VEGFA P15692 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
ABL1 P00519 2/20 0.32
BCR P11274 2/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
OPRK1 P41145 2/20 0.32
ALDH1A1 P00352 3/20 0.32
POLB P06746 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH3A1 P30838 1/20 0.31
HTT P42858 1/20 0.31
NOD1 Q9Y239 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRD1 P41143 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
SCHEMBL2317947 0.82 CA1 (0.40) CA1CA2PTPN11L3MBTL1ENPP3
SCHEMBL1933424 0.81 L3MBTL1 (0.43) PTPN11L3MBTL1ENPP3ENPP1VEGFA
SCHEMBL2317953 0.79 CA1 (0.40) CA1CA2PTPN11L3MBTL1ENPP3
SCHEMBL12389607 0.79 CA1 (0.44) CA1CA2ENPP3ENPP1POLB
SCHEMBL16178874 0.77 CA1 (0.48) CA1CA2L3MBTL1ENPP3ENPP1
SCHEMBL1933400 0.76 CA1 (0.38) CA1CA2PTPN11L3MBTL1ENPP3
SCHEMBL27893079 0.74 CA1 (0.36) CA1CA2PTPN11L3MBTL1ENPP3
SCHEMBL16177824 0.72 L3MBTL1 (0.38) PTPN11L3MBTL1ENPP3ENPP1PTGDR2
SCHEMBL22632537 0.70 PTPN11 (0.32) PTPN11
SCHEMBL20111657 0.70 CA1 (0.51) CA1CA2L3MBTL1ABL1BCR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110190489-A1 Novel Tricyclic Compounds ABBOTT LABORATORIES (US) 2011-08-04 US disclosed
WO-2011068899-A1 NOVEL TRICYCLIC COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-09 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 (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-20110190489-A1 Novel Tricyclic Compounds CCNI, IL2, IL4I1 CA1 1495/4885CA2 1319/4885PTPN11 2806/4885

“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.