SCHEMBL959477

SCHEMBL959477

Cc1cccc(S(=O)(=O)NC(C)(C)C)c1B(O)O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 2/20 0.46
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
ALOX5AP P20292 7/20 0.36
FEN1 P39748 7/20 0.36
ALDH1A1 P00352 4/20 0.36
PARG Q86W56 2/20 0.36
POLB P06746 1/20 0.35
BRD4 O60885 1/20 0.35
BRD2 P25440 1/20 0.35
BRD3 Q15059 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL634084 0.77 NSD2 (0.51) NSD2LMNAMAPTSMN1; SMN2KDM4E
SCHEMBL711348 0.77 NSD2 (0.40) NSD2LMNAMAPTSMN1; SMN2KDM4E
SCHEMBL29442141 0.76 NSD2 (0.47) NSD2LMNAMAPTSMN1; SMN2KDM4E
SCHEMBL519774 0.76 NSD2 (0.47) NSD2LMNAMAPTSMN1; SMN2KDM4E
SCHEMBL13483650 0.75 NSD2 (0.68) NSD2LMNAMAPTSMN1; SMN2KDM4E
SCHEMBL2803354 0.72 NSD2 (0.58) NSD2LMNAMAPTSMN1; SMN2KDM4E
SCHEMBL61913 0.72 ALDH1A1 (0.50) KDM4EMEN1HPGDKMT2AALDH1A1
SCHEMBL27584595 0.71 NSD2 (0.43) NSD2LMNAMAPTSMN1; SMN2KDM4E
SCHEMBL20694978 0.70 ALDH1A1 (0.48) KDM4EMEN1HPGDKMT2AALDH1A1
SCHEMBL28221318 0.70 ALDH1A1 (0.48) KDM4EMEN1HPGDKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7868030-B2 FBPase inhibitors for diabetes HOFFMANN-LA ROCHE INC. (US) 2011-01-11 US disclosed
EP-2032548-A1 THIAZOLE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2009-03-11 EP disclosed
WO-2007137962-A1 THIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-12-06 WO disclosed
US-20070281979-A1 Fructose-1,6-bisphosphatase (FBPase) inhibitors, such as N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]3(difluoromethoxy)benzenesulfonamide, used as antidiabetic agents HOFFMANN-LA ROCHE INC. 2007-12-06 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-20070281979-A1 Fructose-1,6-bisphosphatase (FBPase) inhibitors, such as N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]3(difluoromethoxy)benzenesulfonamide, used as antidiabetic agents FBP1, PFKFB1, PFKFB3 NSD2 2834/4885LMNA 4559/4885MAPT 3081/4885

“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.