SCHEMBL5344213

SCHEMBL5344213

O=C1C=Cc2cc(S(=O)(=O)O)ccc2/C1=N/Nc1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
EIF2AK2 P19525 1/20 0.35
SNCA P37840 2/20 0.34
GAA P10253 2/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
PTPRC P08575 2/20 0.33
TIMP3 P35625 1/20 0.33
PTPN1 P18031 1/20 0.32
PTPN6 P29350 1/20 0.32
PTPN11 Q06124 1/20 0.32
HTT P42858 1/20 0.32
CACNA1B Q00975 1/20 0.31
APBA1 Q02410 1/20 0.31
MCL1 Q07820 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2C19 P33261 1/20 0.30
THRB P10828 1/20 0.30
APEX1 P27695 1/20 0.30

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
SCHEMBL5344218 1.00 MEN1 (0.37) MEN1KMT2AEIF2AK2SNCAGAA
SCHEMBL21784230 0.91 GAA (0.45) MEN1KMT2AGAAMAPTPTPRC
SCHEMBL17460447 0.87 MEN1 (0.41) MEN1KMT2AEIF2AK2SNCAGAA
SCHEMBL10053808 0.87 MEN1 (0.41) MEN1KMT2AEIF2AK2SNCAGAA
SCHEMBL17460446 0.87 MEN1 (0.41) MEN1KMT2AEIF2AK2SNCAGAA
SCHEMBL340828 0.84 EIF2AK2 (0.35) EIF2AK2GAALMNAMAPTPTPRC
SCHEMBL15195813 0.84 PTPRC (0.34) MEN1KMT2ASNCAPTPRCTHRB
SCHEMBL17762728 0.82 SNCA (0.41) MEN1KMT2AEIF2AK2SNCAGAA
SCHEMBL2858004 0.81 POLB (0.46) MEN1KMT2AEIF2AK2GAALMNA
SCHEMBL8995419 0.80 POLB (0.41) MEN1KMT2ALMNAMAPTPTPRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170231889-A1 Sunscreen Compositions Comprising Colour Pigments BASF SE (DE) 2017-08-17 US disclosed
US-8268014-B2 Hair dyeing composition BASF SE Ludwigshafen (DE) 2012-09-18 US disclosed
US-8257448-B2 Hair dyeing composition BASF SE (DE) 2012-09-04 US disclosed
US-20120017931-A1 HAIR DYEING COMPOSITION BASF SE (DE) 2012-01-26 US disclosed
US-20120012128-A1 HAIR DYEING COMPOSITION BASF SE (DE) 2012-01-19 US disclosed
US-20070261436-A1 DRY ICE PRODUCTS AND METHOD OF MAKING SAME SUNDARAM MEENAKSHI 2007-11-15 US disclosed
WO-2007088442-A1 DRY ICE PRODUCTS AND METHOD OF MAKING SAME L'AIR LIQUIDE-SOCIETE ANONYME POUR L'ETUDE ET L'EXPLOITATION DES PROCEDES GEORGES CLAUDE (US) 2007-08-09 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 (3 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-20120012128-A1 HAIR DYEING COMPOSITION CYC1, CYB5R3, TYR MEN1 1913/4885KMT2A 2036/4885EIF2AK2 4838/4885
US-20120017931-A1 HAIR DYEING COMPOSITION CYB5R3, CYC1, CYCS MEN1 2016/4885KMT2A 2264/4885EIF2AK2 4711/4885
US-20170231889-A1 Sunscreen Compositions Comprising Colour Pigments TYR, ERCC1, ERCC4 MEN1 1447/4885KMT2A 2807/4885EIF2AK2 2891/4885

“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.