SCHEMBL14930249

SCHEMBL14930249

COc1cc(N)ccc1S(=O)(=O)NC(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF3 O95398 1/20 0.47
NSD2 O96028 2/20 0.43
ALOX5AP P20292 1/20 0.43
FEN1 P39748 1/20 0.43
ALDH1A1 P00352 1/20 0.42
GAA P10253 4/20 0.42
MAPT P10636 4/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
PKM P14618 1/20 0.40
KDM4E B2RXH2 2/20 0.39
TRPV4 Q9HBA0 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL22963004 0.87 L3MBTL1 (0.47) NSD2ALOX5APFEN1ALDH1A1GAA
SCHEMBL10156476 0.83 L3MBTL1 (0.54) RAPGEF3ALDH1A1GAAMAPTTSHR
SCHEMBL12932819 0.82 MEP1B (0.56) ALDH1A1MAPK1HTTPKMMEN1
SCHEMBL14930267 0.81 GLA (0.50) GAATSHRPKMKDM4ELMNA
SCHEMBL16259602 0.78 ALDH1A1 (0.48) ALOX5APFEN1ALDH1A1TSHRMEN1
SCHEMBL18739952 0.78 BRD4 (0.50) NSD2ALOX5APFEN1ALDH1A1GAA
SCHEMBL1100517 0.78 L3MBTL1 (0.58) RAPGEF3ALDH1A1GAAMAPTTSHR
SCHEMBL2031074 0.78 PKM (0.59) RAPGEF3ALDH1A1GAAMAPTTSHR
SCHEMBL3467457 0.78 L3MBTL1 (0.58) RAPGEF3ALDH1A1GAAMAPTTSHR
SCHEMBL6944634 0.77 GAA (0.50) NSD2ALDH1A1GAAMAPTTSHR

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-20130116227-A1 BIARYL AMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-05-09 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-20130116227-A1 BIARYL AMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF MC2R, NR3C2, REN RAPGEF3 2786/4885NSD2 2978/4885ALOX5AP 3410/4885

“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.