SCHEMBL1933400

SCHEMBL1933400

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
ENPP3 O14638 1/20 0.36
ENPP1 P22413 1/20 0.36
PTPN11 Q06124 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
ABL1 P00519 2/20 0.35
BCR P11274 2/20 0.35
HDAC3 O15379 3/20 0.34
HDAC1 Q13547 3/20 0.34
HDAC2 Q92769 3/20 0.34
HDAC6 Q9UBN7 3/20 0.34
HDAC4 P56524 2/20 0.34
HDAC7 Q8WUI4 2/20 0.34
HDAC10 Q969S8 2/20 0.34
HDAC11 Q96DB2 2/20 0.34
HDAC8 Q9BY41 2/20 0.34
HDAC9 Q9UKV0 2/20 0.34
HDAC5 Q9UQL6 2/20 0.34
ALOX5 P09917 2/20 0.32

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
SCHEMBL1933423 0.82 L3MBTL1 (0.43) CA1CA2ENPP3ENPP1PTPN11
SCHEMBL16178874 0.77 CA1 (0.48) CA1CA2ENPP3ENPP1L3MBTL1
SCHEMBL2317947 0.77 CA1 (0.40) CA1CA2ENPP3ENPP1PTPN11
SCHEMBL1933401 0.76 CA1 (0.37) CA1CA2ENPP3ENPP1PTPN11
SCHEMBL2317953 0.76 CA1 (0.40) CA1CA2ENPP3ENPP1PTPN11
SCHEMBL12389607 0.74 CA1 (0.44) CA1CA2ENPP3ENPP1ALOX5
SCHEMBL27893079 0.73 CA1 (0.36) CA1CA2ENPP3ENPP1PTPN11
SCHEMBL29604813 0.71 CA1 (0.51) CA1CA2L3MBTL1ABL1BCR
SCHEMBL20111657 0.71 CA1 (0.51) CA1CA2L3MBTL1ABL1BCR
SCHEMBL1934552 0.71 JAK2 (0.38)

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 1319/4885ENPP3 3622/4885

“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.