SCHEMBL600070

SCHEMBL600070

CCCCC(C(=O)O)N(C)S(=O)(=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS5 Q9UNA0 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.50
▸ MMP1 P03956 3/20 0.46
▸ MMP7 P09237 3/20 0.46
▸ MMP12 P39900 3/20 0.46
▸ MMP13 P45452 3/20 0.46
▸ ACE P12821 2/20 0.46
▸ ADAMTS4 O75173 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ ESR1 P03372 1/20 0.45
▸ NR1I2 O75469 1/20 0.44
▸ HSD11B1 P28845 1/20 0.43
▸ ALOX5 P09917 3/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ KEAP1 Q14145 1/20 0.41
▸ NFE2L2 Q16236 1/20 0.41
▸ CCR5 P51681 1/20 0.41
▸ PTGES O14684 2/20 0.41

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
SCHEMBL599789 0.85 ALDH1A1 (0.41) ADAMTS5TDP1MMP1MMP7MMP12
SCHEMBL14676567 0.84 ADAMTS5 (0.56) ADAMTS5TDP1ADAMTS4ESR1NR1I2
SCHEMBL12830369 0.84 TDP1 (0.49) TDP1MMP1MMP7MMP12MMP13
SCHEMBL27642228 0.84 ADAMTS5 (0.52) ADAMTS5MMP12MMP13ADAMTS4HSD11B1
SCHEMBL28758085 0.84 ADAMTS5 (0.52) ADAMTS5MMP12MMP13ADAMTS4HSD11B1
SCHEMBL28171647 0.81 ADAMTS5 (0.50) ADAMTS5ADAMTS4HSD11B1KEAP1NFE2L2
SCHEMBL27725761 0.80 ADAMTS5 (0.54) ADAMTS5ADAMTS4L3MBTL1ESR1HSD11B1
SCHEMBL599788 0.80 CNR2 (0.49) ADAMTS5MMP1MMP7MMP12MMP13
SCHEMBL21820681 0.80 TDP1 (0.44) TDP1MMP1MMP7MMP12MMP13
SCHEMBL23357778 0.78 ALDH1A1 (0.44) TDP1ESR1ALOX5PTGES

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-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-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

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 ADAMTS5 4100/4885TDP1 1000/4885MMP1 2680/4885

“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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