SCHEMBL600069

SCHEMBL600069

CN(CCCCCC(=O)O)S(=O)(=O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.58
TBXA2R P21731 1/20 0.51
ALDH1A1 P00352 1/20 0.51
MAPK1 P28482 1/20 0.47
PTGES O14684 1/20 0.46
TDP1 Q9NUW8 2/20 0.45
HSD11B1 P28845 1/20 0.45
MAPT P10636 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45

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 0.88 GAA (0.59) GAAALDH1A1MAPK1MAPTLMNA
SCHEMBL599787 0.88 GAA (0.59) GAAALDH1A1MAPK1MAPTLMNA
SCHEMBL11796389 0.84 ALDH1A1 (0.54) TBXA2RALDH1A1MAPK1TDP1MAPT
SCHEMBL8356647 0.82 TDP1 (0.62) PTGESTDP1MAPTCCR5
SCHEMBL4663012 0.82 TDP1 (0.62) PTGESTDP1MAPTCCR5
SCHEMBL5117215 0.80 HTT (0.56) GAAALDH1A1HSD11B1
SCHEMBL11184672 0.79 CCR5 (0.56) ALDH1A1PTGESTDP1HSD11B1MAPT
SCHEMBL9840356 0.79 MAPT (0.50) GAATBXA2RALDH1A1MAPK1MAPT
SCHEMBL11797446 0.79 MAPK1 (0.54) TBXA2RALDH1A1MAPK1TDP1HDAC3
SCHEMBL10246043 0.79 GAA (0.62) GAATDP1HDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4367092-A DISCOLORATION INHIBITION ROTO-FINISH COMPANY, INC. (US) 1983-01-04 US claimed
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
US-4911888-A Salt containing phenyl ring BASF AKTIENGESELLSCHAFT (DE) 1990-03-27 US disclosed
US-4367092-A DISCOLORATION INHIBITION ROTO-FINISH COMPANY, INC. (US) 1983-01-04 US disclosed
US-4367092-A DISCOLORATION INHIBITION ROTO-FINISH COMPANY, INC. (US) 1983-01-04 US disclosed
US-4344862-A Reaction products of sulfonamido-carboxylic acids or carboxamido-carboxylic acids with alkanolamines, and their use as low-foaming corrosion inhibitors BASF AKTIENGESELLSCHAFT (DE) 1982-08-17 US disclosed
US-3992306-A BIS-SULFONAMIDO-BIS-CARBOXYLIC ACID HOECHST AKTIENGESELLSCHAFT (DT) 1976-11-16 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 2347/4885TBXA2R 3575/4885ALDH1A1 241/4885

“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.