SCHEMBL2352012

SCHEMBL2352012

CCP(=O)(O)CC(C)C(=O)OC

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 5/20 0.38
MMP2 P08253 4/20 0.38
MMP3 P08254 2/20 0.38
MMP8 P22894 4/20 0.35
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
CA12 O43570 3/20 0.35
CA9 Q16790 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
MMP9 P14780 2/20 0.34
CA14 Q9ULX7 2/20 0.32
GABBR2 O75899 1/20 0.32
GABBR1 Q9UBS5 1/20 0.32
ZDHHC7 Q9NXF8 1/20 0.32
FDPS P14324 1/20 0.31
HSD17B10 Q99714 2/20 0.30

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
SCHEMBL2403991 0.98 MMP1 (0.37) MMP1MMP2MMP3MMP8CA1
SCHEMBL2466027 0.90 MMP1 (0.38) MMP1MMP2MMP3MMP8CA1
SCHEMBL2355055 0.84 CYP2C19 (0.38) GABBR2GABBR1HSD17B10
SCHEMBL5456859 0.81 MMP1 (0.38) MMP1MMP2MMP3MMP8CA1
SCHEMBL2403902 0.79 GABRR1 (0.39) MMP1MMP2MMP3MMP8CA1
SCHEMBL15259072 0.78 MMP1 (0.35) MMP1MMP2MMP3MMP8CA1
SCHEMBL2403997 0.77 SMN1; SMN2 (0.32) MMP1MMP2MMP3CA1CA2
SCHEMBL8558146 0.77 SMN1; SMN2 (0.38) MMP1MMP2MMP3MMP8CA1
SCHEMBL338990 0.77 GABRR1 (0.38) GABBR2GABBR1FDPS
SCHEMBL8565442 0.77 SMN1; SMN2 (0.38) MMP1MMP2MMP3MMP8CA1

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
EP-2352740-B1 METHOD FOR PRODUCING DIALKYLPHOSPHINIC ACIDS AND ESTERS AND SALTS THEREOF BY MEANS OF ACRYLIC ACID DERIVATIVES AND USE THEREOF CLARIANT FINANCE BVI LTD (VG) 2014-09-24 EP disclosed
US-8664418-B2 Method for producing dialkylphosphinic acids and esters and salts thereof by means of acrylic acid derivatives and use thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2014-03-04 US disclosed
US-20110213052-A1 Method for Producing Dialkylphosphinic Acids and Esters and Salts Thereof by Means of Acrylic Acid Derivatives and Use Thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2011-09-01 US disclosed
EP-2352740-A1 METHOD FOR PRODUCING DIALKYLPHOSPHINIC ACIDS AND ESTERS AND SALTS THEREOF BY MEANS OF ACRYLIC ACID DERIVATIVES AND USE THEREOF Clariant Finance (BVI) Limited (VG) 2011-08-10 EP disclosed
WO-2010051893-A1 METHOD FOR PRODUCING DIALKYLPHOSPHINIC ACIDS AND ESTERS AND SALTS THEREOF BY MEANS OF ACRYLIC ACID DERIVATIVES AND USE THEREOF CLARIANT INTERNATIONAL LTD (CH) 2010-05-14 WO 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-20110213052-A1 Method for Producing Dialkylphosphinic Acids and Esters and Salts Thereof by Means of Acrylic Acid Derivatives and Use Thereof ACSL3, HAO2, AOC3 MMP1 4305/4885MMP2 4027/4885MMP3 4197/4885

“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.