SCHEMBL600046

SCHEMBL600046

CCCCC(NS(=O)(=O)Cc1ccccc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
MEN1 O00255 1/20 0.52
HTT P42858 1/20 0.52
KMT2A Q03164 1/20 0.52
SLC1A3 P43003 1/20 0.52
SLC1A2 P43004 1/20 0.52
SLC1A1 P43005 1/20 0.52
ITGB3 P05106 5/20 0.51
ITGA2B P08514 3/20 0.51
ITGAV P06756 2/20 0.49
HPGD P15428 1/20 0.48
TMPRSS2 O15393 2/20 0.47
TMPRSS11D O60235 2/20 0.47
F2 P00734 2/20 0.47
F10 P00742 2/20 0.47
PLG P00747 2/20 0.47
CNR2 P34972 1/20 0.47
MMP2 P08253 5/20 0.46
MMP9 P14780 5/20 0.46
MMP8 P22894 4/20 0.46

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
SCHEMBL6818050 0.94 ITGB3 (0.53) ALDH1A1MEN1HTTKMT2ASLC1A3
SCHEMBL4058881 0.91 SLC1A3 (0.55) ALDH1A1MEN1HTTKMT2ASLC1A3
SCHEMBL12044849 0.87 SLC1A3 (0.54) ALDH1A1MEN1HTTKMT2ASLC1A3
SCHEMBL15308918 0.86 ALDH1A1 (0.50) ALDH1A1MEN1HTTKMT2ASLC1A3
SCHEMBL18696985 0.86 ITGB3 (0.57) ALDH1A1MEN1HTTKMT2ASLC1A3
SCHEMBL7357439 0.86 SLC1A3 (0.52) ALDH1A1MEN1HTTKMT2ASLC1A3
SCHEMBL3898276 0.85 SLC1A3 (0.57) ALDH1A1MEN1HTTKMT2ASLC1A3
SCHEMBL30309011 0.84 ITGB3 (0.65) ALDH1A1MEN1HTTKMT2ASLC1A3
SCHEMBL19390372 0.84 ITGB3 (0.53) ALDH1A1MEN1HTTKMT2ASLC1A3
SCHEMBL1329533 0.84 SLC1A3 (0.56) ALDH1A1MEN1HTTKMT2ASLC1A3

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-9068137-B2 Water-mixed metal working fluids containing ether pyrrolidone carboxylic acids CLARIANT FINANCE (BVI) LIMITED (VG) 2015-06-30 US disclosed
US-8759264-B2 Water-based hydraulic fluids comprising dithio-di(aryl carbolic acids) CLARIENT FINANCE (BVI) LIMITED (VG) 2014-06-24 US disclosed
US-20120088706-A1 WATER-MIXED METAL WORKING FLUIDS CONTAINING ETHER PYRROLIDONE CARBOXYLIC ACIDS CLARIANT FINANCE (BVI) LIMITED (VG) 2012-04-12 US disclosed
US-20120088705-A1 POLYALKYLENE GLYCOL-BASED ETHER PYRROLIDONE CARBOXYLIC ACIDS, AND CONCENTRATES FOR THE PRODUCTION OF SYNTHETIC COOLING LUBRICANTS CONTAINING THE SAME CLARIANT FINANCE (BVI) LIMITED (VG) 2012-04-12 US disclosed
US-20120040875-A1 Water-Based Hydraulic Fluids Comprising Dithio-Di(Aryl Carbolic Acids) CLARIANT FINANCE (BVI) LIMITED (VG) 2012-02-16 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-20120088705-A1 POLYALKYLENE GLYCOL-BASED ETHER PYRROLIDONE CARBOXYLIC ACIDS, AND CONCENTRATES FOR THE PRODUCTION OF SYNTHETIC COOLING LUBRICANTS CONTAINING THE SAME F12, ADH1A, ADH1C ALDH1A1 241/4885MEN1 2570/4885HTT 2456/4885

“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.