SCHEMBL2403997

SCHEMBL2403997

CCP(=O)([O-])CC(C)C(=O)OC.CCP(=O)([O-])CC(C)C(=O)OC.CCP(=O)([O-])CC(C)C(=O)OC.CCP(=O)([O-])CC(C)C(=O)OC.[Ti+4]

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.32
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
TSHR P16473 1/20 0.31
CA14 Q9ULX7 1/20 0.31
ZDHHC7 Q9NXF8 1/20 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
SCHEMBL2407046 0.79 CA1 (0.41) CA1TSHR
SCHEMBL2352012 0.77 MMP1 (0.38) SMN1; SMN2MMP1MMP2MMP3CA1
SCHEMBL2403991 0.76 MMP1 (0.37) SMN1; SMN2MMP1MMP2MMP3CA1
SCHEMBL5456859 0.74 MMP1 (0.38) SMN1; SMN2MMP1MMP2MMP3CA1
Methyl 2-Methylbutanoate SCHEMBL29222980 0.74 MMP1 (0.47) SMN1; SMN2MMP1MMP2MMP3CA1
SCHEMBL2466027 0.74 MMP1 (0.38) SMN1; SMN2MMP1MMP2MMP3CA1
SCHEMBL8565444 0.74 SMN1; SMN2 (0.38) SMN1; SMN2MMP1MMP2MMP3CA1
SCHEMBL8558146 0.74 SMN1; SMN2 (0.38) SMN1; SMN2MMP1MMP2MMP3CA1
SCHEMBL8565442 0.74 SMN1; SMN2 (0.38) SMN1; SMN2MMP1MMP2MMP3CA1
Methyl 2-Methylbutanoate SCHEMBL108113 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 SMN1; SMN2 4162/4885MMP1 4305/4885MMP2 4027/4885

“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.