SCHEMBL3193371

SCHEMBL3193371

C=CC(=O)Nc1cccc(OP(=O)(O)Oc2cccc(NC(=O)C=C)c2)c1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 5/20 0.55
MAP2K7 O14733 1/20 0.50
EGFR P00533 8/20 0.46
ITK Q08881 6/20 0.46
BTK Q06187 4/20 0.46
JAK3 P52333 1/20 0.45
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43

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
SCHEMBL3197660 0.91 TGM2 (0.55) TGM2MAP2K7EGFRITKBTK
SCHEMBL3197656 0.90 TGM2 (0.56) TGM2MAP2K7EGFRITKBTK
SCHEMBL3193313 0.81 TGM2 (0.63) TGM2MAP2K7
SCHEMBL3200141 0.80 TGM2 (0.46) TGM2MAP2K7EGFRBTK
SCHEMBL1383792 0.80 TGM2 (0.66) TGM2EGFRITKMMP1MMP2
SCHEMBL31069810 0.80 TGM2 (0.66) TGM2EGFRITKMMP1MMP2
SCHEMBL10946691 0.80 TGM2 (0.59) TGM2MAP2K7EGFRITKBTK
SCHEMBL22732031 0.79 TGM2 (0.74) TGM2MAP2K7EGFRITKBTK
SCHEMBL4103284 0.79 TGM2 (0.76) TGM2MAP2K7EGFRITKBTK
SCHEMBL3192042 0.78 TDP1 (0.57)

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-20100024683-A1 PHOSPHATE COMPOUND, METAL SALT THEREOF, DENTAL MATERIAL AND DENTAL COMPOSITION MITSUI CHEMICALS, INC. (JP) 2010-02-04 US disclosed
EP-2058318-A1 PHOSPHATE ESTER COMPOUND, METAL SALT THEREOF, DENTAL MATERIAL, AND DENTAL COMPOSITION Mitsui Chemicals, Inc. (JP) 2009-05-13 EP 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-20100024683-A1 PHOSPHATE COMPOUND, METAL SALT THEREOF, DENTAL MATERIAL AND DENTAL COMPOSITION CAD, PPIP5K2, SLC20A1 TGM2 4191/4885MAP2K7 837/4885EGFR 4663/4885

“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.