SCHEMBL599786

SCHEMBL599786

CCCCC(NS(=O)(=O)c1c(C)cccc1C)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.51
PKM P14618 1/20 0.51
MMP9 P14780 9/20 0.48
MMP2 P08253 8/20 0.48
MMP8 P22894 5/20 0.48
MMP12 P39900 4/20 0.48
MMP14 P50281 4/20 0.48
CA2 P00918 1/20 0.45
ITGAV P06756 3/20 0.44
ITGB3 P05106 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
MMP13 P45452 1/20 0.43
ADAMTS4 O75173 1/20 0.43
PLAU P00749 1/20 0.43
HPN P05981 1/20 0.43
POLB P06746 1/20 0.42

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
SCHEMBL600044 0.85 ITGAV (0.62) MMP9MMP2MMP8MMP12MMP14
SCHEMBL599969 0.81 MMP9 (0.64) MMP9MMP2MMP8MMP12MMP14
SCHEMBL5191279 0.81 MMP9 (0.64) MMP9MMP2MMP8MMP12MMP14
SCHEMBL6940563 0.79 PLAU (0.61) MMP9MMP2MMP8MMP12MMP14
SCHEMBL8839281 0.75 MMP2 (0.57) MMP9MMP2MMP8MMP12MMP14
SCHEMBL8839412 0.75 MMP2 (0.68) MMP9MMP2MMP8MMP12MMP14
SCHEMBL8839572 0.75 MMP2 (0.57) MMP9MMP2MMP8MMP12MMP14
SCHEMBL7373802 0.75 MMP9 (0.57) MMP9MMP2MMP8MMP12MMP14
SCHEMBL8839291 0.75 MMP2 (0.57) MMP9MMP2MMP8MMP12MMP14
SCHEMBL8839401 0.75 MMP2 (0.68) MMP9MMP2MMP8MMP12MMP14

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 LMNA 4312/4885PKM 995/4885MMP9 4254/4885

“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.