SCHEMBL599787

SCHEMBL599787

Cc1ccc(S(=O)(=O)N(C)CCCCCC(=O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.59
LMNA P02545 6/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
HTT P42858 2/20 0.55
MEN1 O00255 1/20 0.55
POLB P06746 1/20 0.55
KMT2A Q03164 1/20 0.55
MAPT P10636 1/20 0.54
KEAP1 Q14145 2/20 0.49
NFE2L2 Q16236 2/20 0.49
HSD17B10 Q99714 3/20 0.47
ALDH1A1 P00352 1/20 0.46
KDM4E B2RXH2 2/20 0.44
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL3484826 1.00 GAA (0.59) GAALMNASMN1; SMN2HTTMEN1
SCHEMBL600069 0.88 GAA (0.58) GAALMNAMAPTALDH1A1MAPK1
SCHEMBL18986533 0.87 LMNA (0.55) LMNASMN1; SMN2HTTMEN1POLB
SCHEMBL3485245 0.83 L3MBTL1 (0.54) GAALMNASMN1; SMN2HTTMEN1
SCHEMBL8008989 0.81 MCHR1 (0.60) LMNASMN1; SMN2HTTMEN1POLB
SCHEMBL14002193 0.81 MCHR1 (0.60) LMNASMN1; SMN2HTTMEN1POLB
SCHEMBL11793398 0.80 KEAP1 (0.53) GAALMNASMN1; SMN2HTTMEN1
SCHEMBL9840847 0.80 GAA (0.44) GAALMNASMN1; SMN2HTTMEN1
SCHEMBL12875996 0.79 LMNA (0.48) LMNASMN1; SMN2HTTMEN1POLB
SCHEMBL8183061 0.79 MEP1B (0.65) MEN1KMT2AKEAP1NFE2L2ALDH1A1

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-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-20120088706-A1 WATER-MIXED METAL WORKING FLUIDS CONTAINING ETHER PYRROLIDONE CARBOXYLIC ACIDS 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 GAA 2347/4885LMNA 4312/4885SMN1; SMN2 4112/4885

“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.