SCHEMBL12840935

SCHEMBL12840935

C=C(C)c1cc(-c2ccc3cc(NS(C)(=O)=O)ccc3c2)cc(-n2ccc(=O)[nH]c2=O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 2/20 0.56
BRPF1 P55201 1/20 0.38
IKBKB O14920 1/20 0.37
CHUK O15111 1/20 0.37
PIP4K2A P48426 2/20 0.35
PIP4K2B P78356 2/20 0.35
HSD17B1 P14061 2/20 0.34
HSD17B2 P37059 2/20 0.34
BRD4 O60885 1/20 0.34
CHEK2 O96017 1/20 0.33
ALDH1A1 P00352 2/20 0.33
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CG P48736 1/20 0.32
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2D6 P10635 2/20 0.32
CYP2C19 P33261 2/20 0.32
CYP2C9 P11712 1/20 0.32
DDB1 Q16531 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
SCHEMBL1530231 0.82 CRBN (0.66) CRBNBRPF1IKBKBCHUKPIP4K2A
SCHEMBL1530347 0.74 CRBN (0.79) CRBNBRPF1BRD4PIK3CDPIK3CA
SCHEMBL11994036 0.74 CRBN (0.79) CRBNBRPF1IKBKBCHUKBRD4
SCHEMBL2324709 0.74 CRBN (0.75) CRBNBRPF1IKBKBCHUKBRD4
SCHEMBL1530453 0.74 CRBN (0.77) CRBNBRPF1IKBKBCHUKBRD4
SCHEMBL1530499 0.74 CRBN (0.80) CRBNBRPF1BRD4
SCHEMBL1530434 0.74 CRBN (0.77) CRBNBRPF1BRD4ALDH1A1DDB1
SCHEMBL1530732 0.74 CRBN (0.77) CRBNBRPF1IKBKBCHUKBRD4
SCHEMBL1530175 0.74 CRBN (0.77) CRBNBRPF1BRD4ALDH1A1
SCHEMBL15943725 0.74 CRBN (0.77) CRBNBRPF1BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110070193-A1 Anti-Infective Agents and Uses Thereof ABBOTT LABORATORIES (US) 2011-03-24 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-20110070193-A1 Anti-Infective Agents and Uses Thereof MPO, SERPINB1, ELANE CRBN 3902/4885BRPF1 2988/4885IKBKB 404/4885

“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.