SCHEMBL2321083

SCHEMBL2321083

Cc1ccc(S(=O)(=O)n2c(-c3cccc(S(=O)(=O)NCCO)c3)cc3c4c(cnc32)cnn4C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.42
SYK P43405 4/20 0.40
CA12 O43570 3/20 0.38
CA9 Q16790 3/20 0.38
CA1 P00915 1/20 0.38
PIK3CD O00329 1/20 0.36
PIK3CG P48736 1/20 0.36
PIK3C3 Q8NEB9 1/20 0.36
NR3C1 P04150 1/20 0.35
PGR P06401 1/20 0.35
AR P10275 1/20 0.35
IKBKB O14920 1/20 0.35
CHUK O15111 1/20 0.35
CASP3 P42574 1/20 0.35
CYP11B2 P19099 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
ABL1 P00519 1/20 0.35
CA2 P00918 1/20 0.35
ADORA2B P29275 1/20 0.35
MTOR P42345 1/20 0.34

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
SCHEMBL2316724 0.91 SYK (0.42) SYKCASP3
SCHEMBL2316160 0.88 SYK (0.36) SYKPIK3CDPIK3CGPTGDR2
SCHEMBL2321770 0.87 POLB (0.46) SYKCA12CA9ABL1CA2
SCHEMBL4357924 0.85 ACVR1 (0.38) PTGDR2
SCHEMBL16245121 0.85 MAOA (0.39) BRD4CA12CA9CA1CA2
SCHEMBL2321809 0.83 ALDH1A1 (0.41) SYKPTGDR2
SCHEMBL2315157 0.82 LMNA (0.37) PTGDR2
SCHEMBL2318264 0.81 ACLY (0.40) IKBKBCHUKPTGDR2ADORA2BCYP2C19
SCHEMBL2319064 0.81 PTGDR2 (0.44) PTGDR2
SCHEMBL2319238 0.81 CYP11B1 (0.39) CA12CA9CA1CYP11B2PTGDR2

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 3 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
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
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 (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-20140349970-A1 NOVEL TRICYCLIC COMPOUNDS CCNI, IL2, IL4I1 BRD4 1047/4885SYK 1996/4885CA12 1110/4885
US-20110190489-A1 Novel Tricyclic Compounds CCNI, IL2, IL4I1 BRD4 1047/4885SYK 1996/4885CA12 1110/4885

“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.