SCHEMBL599789

SCHEMBL599789

CCCCC(C(=O)O)N(C)S(=O)(=O)c1ccccc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.41
▸ HCRTR2 O43614 1/20 0.41
▸ ADAMTS5 Q9UNA0 1/20 0.40
▸ JAK2 O60674 1/20 0.40
▸ SLC1A3 P43003 1/20 0.39
▸ SLC1A2 P43004 1/20 0.39
▸ SLC1A1 P43005 1/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ PTGES O14684 2/20 0.38
▸ ALOX5 P09917 2/20 0.38
▸ PPARG P37231 2/20 0.38
▸ PPARA Q07869 2/20 0.38
▸ ITGAV P06756 1/20 0.38
▸ PTPN1 P18031 1/20 0.38
▸ MMP1 P03956 3/20 0.38
▸ MMP7 P09237 3/20 0.38

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
SCHEMBL600070 0.85 ADAMTS5 (0.51) ADAMTS5MAPK1PTGESALOX5MMP1
SCHEMBL599788 0.77 CNR2 (0.49) ADAMTS5PTGESALOX5PPARGMMP1
SCHEMBL3693999 0.76 TSHR (0.49) ALDH1A1HCRTR2JAK2KMT2AMEN1
SCHEMBL2583710 0.74 TSHR (0.57) ALDH1A1HCRTR2JAK2KMT2AMEN1
SCHEMBL9307793 0.74 ALDH1A1 (0.47) ALDH1A1HCRTR2KMT2AMEN1MAPK1
SCHEMBL5505271 0.74 CA12 (0.48) ALDH1A1HCRTR2JAK2KMT2AMEN1
SCHEMBL600044 0.73 ITGAV (0.62) ALDH1A1SLC1A3SLC1A2SLC1A1ITGAV
SCHEMBL5507153 0.73 CA12 (0.47) ALDH1A1HCRTR2KMT2AMEN1MAPT
SCHEMBL12830369 0.72 TDP1 (0.49) MAPK1PTGESALOX5MMP1MMP7
SCHEMBL10516417 0.70 MMP13 (0.40) ALDH1A1HCRTR2SLC1A3SLC1A2SLC1A1

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 241/4885HCRTR2 865/4885ADAMTS5 4100/4885

“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.

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