SCHEMBL5116808

SCHEMBL5116808

Cc1ccc(S(=O)(=O)n2ccc3c(NCC(F)(F)F)nc(I)nc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.42
ACVR1 Q04771 1/20 0.36
BRD4 O60885 1/20 0.35
RAPGEF4 Q8WZA2 1/20 0.35
POLB P06746 1/20 0.34
ALDH3A1 P30838 1/20 0.34
HTT P42858 1/20 0.34
NOD1 Q9Y239 1/20 0.34
HTR6 P50406 4/20 0.34
PTGS2 P35354 1/20 0.34
ATR Q13535 1/20 0.34
ATRIP Q8WXE1 1/20 0.34
MAPT P10636 3/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CDK1 P06493 1/20 0.32
THRB P10828 1/20 0.32
VEGFA P15692 1/20 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
SCHEMBL4723467 0.87 L3MBTL1 (0.42) L3MBTL1ACVR1BRD4RAPGEF4HTR6
SCHEMBL5124659 0.87 L3MBTL1 (0.45) L3MBTL1ACVR1BRD4RAPGEF4POLB
SCHEMBL5117141 0.84 L3MBTL1 (0.43) L3MBTL1ACVR1BRD4RAPGEF4POLB
SCHEMBL5116653 0.82 L3MBTL1 (0.45) L3MBTL1ACVR1BRD4RAPGEF4POLB
SCHEMBL5113381 0.80 L3MBTL1 (0.45) L3MBTL1ACVR1BRD4RAPGEF4POLB
SCHEMBL5124281 0.79 L3MBTL1 (0.42) L3MBTL1ACVR1BRD4RAPGEF4POLB
SCHEMBL4777744 0.79 LRRK2 (0.44) MAPTMEN1KMT2ACA1CA2
SCHEMBL4843165 0.78 LRRK2 (0.54)
SCHEMBL5114610 0.77 PTK2 (0.46) CDK1
SCHEMBL5113429 0.77 PTK2 (0.46) CDK1

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-20080004295-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-01-03 US disclosed
US-20080004295-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-01-03 US disclosed
US-20080004295-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-01-03 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 (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-20080004295-A1 NOVEL COMPOUNDS SYK, BTK, LCK L3MBTL1 3847/4885ACVR1 4241/4885BRD4 1433/4885

“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.