SCHEMBL1409013

SCHEMBL1409013

C=C(C)C(=O)NC(CC)P(=O)(O)O

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.43
LAP3 P28838 1/20 0.39
MMP1 P03956 2/20 0.38
MMP2 P08253 2/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
MMP8 P22894 1/20 0.38
CA9 Q16790 1/20 0.38
MMP3 P08254 1/20 0.37
FDPS P14324 3/20 0.33

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
SCHEMBL4187674 0.85 FDPS (0.41) TGFBR1MMP1MMP2CA12CA1
SCHEMBL6103610 0.82 FDPS (0.44) TGFBR1LAP3FDPS
SCHEMBL4184803 0.80 FDPS (0.47) LAP3FDPS
SCHEMBL14937909 0.78 MMP1 (0.44) TGFBR1LAP3MMP1MMP2CA12
SCHEMBL4629779 0.75 TGFBR1 (0.44) TGFBR1LAP3MMP1MMP2CA12
SCHEMBL14368418 0.74 TGFBR1 (0.44) TGFBR1LAP3MMP1MMP2CA12
SCHEMBL11695059 0.74 LAP3 (0.43) LAP3MMP1MMP2CA12CA1
SCHEMBL976101 0.74 TGFBR1 (0.42) TGFBR1LAP3MMP1MMP2CA12
SCHEMBL8384172 0.73 TSHR (0.47) LAP3MMP1MMP2CA12CA1
SCHEMBL8847175 0.73 TGFBR1 (0.40) TGFBR1LAP3MMP1MMP2CA12

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
EP-2294118-A1 METHOD OF MAKING LIGAND FUNCTIONALIZED SUBSTRATES 3M Innovative Properties Company (US) 2011-03-16 EP disclosed
US-20100041790-A1 SELF-ETCHING DENTAL MATERIALS BASED ON (METH)ACRYLAMIDE PHOSPHATES IVOCLAR VIVADENT AG (LI) 2010-02-18 US disclosed
WO-2009148869-A1 METHOD OF MAKING LIGAND FUNCTIONALIZED SUBSTRATES 3M INNOVATIVE PROPERTIES COMPANY (US) 2009-12-10 WO disclosed
US-7622538-B2 Polymerizable dental material, characterized in that it contains at least one (meth)acrylamide phosphate; adhesives, coating materials and composites for dental purposes; hydrolysis-stable IVOCLAR VIVADENT AG (LI) 2009-11-24 US disclosed
EP-1674066-B1 Self-etching dental materials based on (meth)acrylamidophosphates IVOCLAR VIVADENT AG (LI) 2008-08-13 EP disclosed
EP-1674066-A1 Self-etching dental materials based on (meth)acrylamidophosphates Ivoclar Vivadent AG (LI) 2006-06-28 EP disclosed
US-20060135719-A1 Self-etching dental materials based on (METH) acrylamide phosphates IVOCLAR VIVADENT AG (LI) 2006-06-22 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-20100041790-A1 SELF-ETCHING DENTAL MATERIALS BASED ON (METH)ACRYLAMIDE PHOSPHATES MSR1, C1R, HRH3 TGFBR1 1320/4885LAP3 1526/4885MMP1 4450/4885

“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.