SCHEMBL3080870

SCHEMBL3080870

CC(C)N(C)S(=O)(=O)NC(=O)c1ccc(F)c([N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLPP Q16740 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.45
AKR1C2 P52895 1/20 0.45
AKR1C1 Q04828 1/20 0.45
WDR5 P61964 1/20 0.45
THRB P10828 2/20 0.44
VCAM1 P19320 1/20 0.43
IRAK4 Q9NWZ3 1/20 0.43
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
MCL1 Q07820 1/20 0.42
ALDH1A1 P00352 2/20 0.42
GAA P10253 2/20 0.42
NPSR1 Q6W5P4 1/20 0.41
CA1 P00915 1/20 0.41
MMP2 P08253 1/20 0.41
CA14 Q9ULX7 1/20 0.41

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
SCHEMBL714409 0.80 HDAC6 (0.43) SMN1; SMN2WDR5LMNA
SCHEMBL3059734 0.79 SCN9A (0.43) MAPTRAB9AGAALMNA
SCHEMBL15358859 0.77 AKR1C2 (0.59) CLPPSMN1; SMN2AKR1C2AKR1C1VCAM1
SCHEMBL2554714 0.76 AKR1C2 (0.54) CLPPSMN1; SMN2AKR1C2AKR1C1WDR5
SCHEMBL13753322 0.75 AKR1C2 (0.51) CLPPSMN1; SMN2AKR1C2AKR1C1IRAK4
SCHEMBL711773 0.75 HDAC6 (0.42) ALDH1A1LMNA
SCHEMBL3049404 0.74 FLT1 (0.41) SMN1; SMN2ALDH1A1
SCHEMBL711275 0.73 HDAC6 (0.41) SMN1; SMN2WDR5MAPTMEN1MAPK1
SCHEMBL4302375 0.73 PDK1 (0.52) CLPPSMN1; SMN2AKR1C2AKR1C1VCAM1
SCHEMBL3585691 0.73 LMNA (0.56) SMN1; SMN2AKR1C2AKR1C1VCAM1IRAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120310010-A1 Method for producing sulfonamides BASF SE (DE) 2012-12-06 US disclosed
US-8263806-B2 Method for producing sulfonamides BASF SE (DE) 2012-09-11 US disclosed
US-20100228054-A1 Method for Producing Sulfonamides BASF SE (DE) 2010-09-09 US disclosed
EP-1957443-A2 METHOD FOR PRODUCING SULFONAMIDES BASF SE (DE) 2008-08-20 EP disclosed
WO-2007063028-A2 METHOD FOR PRODUCING SULFONAMIDES BASF SE (DE) 2007-06-07 WO 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 (2 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-20100228054-A1 Method for Producing Sulfonamides STS, MSRB3, SQOR CLPP 4716/4885SMN1; SMN2 1212/4885AKR1C2 546/4885
US-20120310010-A1 Method for producing sulfonamides MSRB3, STS, TST CLPP 4346/4885SMN1; SMN2 1196/4885AKR1C2 1682/4885

“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.