SCHEMBL15032661

SCHEMBL15032661

C=C(C)C(=O)NC(CCP(=O)(O)O)CCP(=O)(O)O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.42
ANPEP P15144 1/20 0.34
FOLH1 Q04609 1/20 0.34
ALDH1A1 P00352 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP8 P22894 1/20 0.33
CA9 Q16790 1/20 0.33
ENPEP Q07075 1/20 0.33
S1PR1 P21453 8/20 0.33
S1PR3 Q99500 8/20 0.33
S1PR2 O95136 6/20 0.33
S1PR4 O95977 6/20 0.33
S1PR5 Q9H228 2/20 0.30
TYMS P04818 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
SCHEMBL14368418 0.81 TGFBR1 (0.44) TGFBR1FOLH1CA12CA1CA2
SCHEMBL2552690 0.77 TGFBR1 (0.39) TGFBR1CA12CA1CA2MMP1
SCHEMBL4187674 0.76 FDPS (0.41) TGFBR1CA12CA1CA2MMP1
SCHEMBL14937909 0.76 MMP1 (0.44) TGFBR1CA12CA1CA2MMP1
SCHEMBL2555697 0.75 FDPS (0.42) TGFBR1CA12CA1CA2MMP1
SCHEMBL4629779 0.74 TGFBR1 (0.44) TGFBR1ALDH1A1TDP1CA12CA1
SCHEMBL6103610 0.74 FDPS (0.44) TGFBR1S1PR1S1PR3S1PR2S1PR4
SCHEMBL2555753 0.74 PLA2G2A (0.44) S1PR1S1PR3S1PR2S1PR4
SCHEMBL14368417 0.73 TGFBR1 (0.41) TGFBR1
SCHEMBL976101 0.72 TGFBR1 (0.42) TGFBR1ANPEPALDH1A1CA12CA1

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-9040602-B2 Dental materials on the basis of highly acidic polymerizable bisphosphonic acids IVOCLAR VIVADENT AG (LI) 2015-05-26 US disclosed
US-9040602-B2 Dental materials on the basis of highly acidic polymerizable bisphosphonic acids IVOCLAR VIVADENT AG (LI) 2015-05-26 US disclosed
US-20140296364-A1 Dental Materials on the Basis of Highly Acidic Polymerizable Bisphosphonic Acids IVOCLAR VIVADENT AG (LI) 2014-10-02 US disclosed
US-20140296364-A1 Dental Materials on the Basis of Highly Acidic Polymerizable Bisphosphonic Acids IVOCLAR VIVADENT AG (LI) 2014-10-02 US disclosed
WO-2013083734-A1 DENTAL MATERIALS ON THE BASIS OF HIGHLY ACIDIC POLYMERISABLE BISPHOSPHONIC ACIDS IVOCLAR VIVADENT AG (LI) 2013-06-13 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-20140296364-A1 Dental Materials on the Basis of Highly Acidic Polymerizable Bisphosphonic Acids PHOSPHO1, PTK2, ITGA1 TGFBR1 2264/4885ANPEP 2998/4885FOLH1 938/4885

“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.