SCHEMBL956319

SCHEMBL956319

COCCCc1sccc1C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.41
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ADRA1D P25100 2/20 0.37
RIPK1 Q13546 1/20 0.36
KEAP1 Q14145 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GAA P10253 1/20 0.35
NPC1 O15118 1/20 0.34
PKM P14618 1/20 0.34
RAB9A P51151 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GSK3B P49841 1/20 0.34
NAMPT P43490 1/20 0.34

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
SCHEMBL957578 0.88 MEN1 (0.40) ALOX5MEN1KMT2AADRA1DRIPK1
SCHEMBL8815622 0.78 ALOX5 (0.44) ALOX5MEN1KMT2AADRA1DRIPK1
SCHEMBL30954534 0.76 ALOX5 (0.43) ALOX5MEN1KMT2AADRA1DRIPK1
SCHEMBL6617196 0.76 ALOX5 (0.43) ALOX5MEN1KMT2AADRA1DRIPK1
SCHEMBL5481203 0.76 ALDH1A1 (0.49) ALOX5MEN1KMT2AADRA1DRIPK1
SCHEMBL958565 0.75
SCHEMBL19304398 0.74 ALOX5 (0.42) ALOX5ADRA1DRIPK1ALDH1A1HPGD
SCHEMBL5960013 0.74 ALOX5 (0.42) ALOX5ADRA1DRIPK1ALDH1A1HPGD
SCHEMBL21142475 0.74 ALOX5 (0.42) ALOX5ADRA1DRIPK1ALDH1A1HPGD
SCHEMBL4436694 0.74 ALOX5 (0.42) ALOX5ADRA1DRIPK1ALDH1A1HPGD

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 ALOX5 3688/4885MEN1 1481/4885KMT2A 3141/4885

“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.