SCHEMBL1818124

SCHEMBL1818124

CC(=O)Nc1cnc(S(=O)(=O)Cl)c(C(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.50
RORC P51449 3/20 0.41
ALDH1A1 P00352 4/20 0.35
POLB P06746 1/20 0.35
LMNA P02545 1/20 0.34
MAPT P10636 2/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
MAOA P21397 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CDK2 P24941 1/20 0.34
USP1 O94782 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33

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
SCHEMBL1817504 0.81 RORC (0.47) RORCALDH1A1POLBLMNAMAPT
SCHEMBL1819956 0.81 ALDH1A1 (0.45) RORCALDH1A1POLBLMNAMAPT
SCHEMBL1816036 0.79 IDO1 (0.39) RORCALDH1A1POLBLMNAMAPT
SCHEMBL1817314 0.78 HPGD (0.40) RORCALDH1A1POLBLMNAMAPT
SCHEMBL31311192 0.75 KMT2A (0.38) RORCALDH1A1POLBKMT2A
SCHEMBL31311285 0.74 RORC (0.44) RORCALDH1A1LMNAMAPTMEN1
SCHEMBL6391289 0.68 CA1 (0.45) ALDH1A1POLBLMNAMAPTMEN1
SCHEMBL21711148 0.68 GAA (0.47) GAARORCALDH1A1POLBLMNA
SCHEMBL21879857 0.66 GAA (0.59) GAARORCALDH1A1MAPTMEN1
SCHEMBL1817927 0.65 MAPT (0.47) GAARORCALDH1A1POLBMAPT

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-20110212918-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2011-09-01 US disclosed
WO-2011060199-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2011-05-19 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-20110212918-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BCL6, BTD GAA 536/4885RORC 1616/4885ALDH1A1 4190/4885

“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.