SCHEMBL3200141

SCHEMBL3200141

C=CC(=O)Nc1ccc(C(C)(C)c2cccc(OP(=O)(O)Oc3cccc(C(C)(C)c4ccc(NC(=O)C=C)cc4)c3)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 9/20 0.46
KDR P35968 2/20 0.42
EPHB4 P54760 2/20 0.42
TEK Q02763 1/20 0.42
TP53 P04637 1/20 0.40
LMNA P02545 2/20 0.39
F13A1 P00488 1/20 0.39
TGM1 P22735 1/20 0.39
TGM3 Q08188 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
STAT1 P42224 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
EGFR P00533 2/20 0.38
BTK Q06187 1/20 0.38
MAP2K7 O14733 2/20 0.38
ALDH1A1 P00352 2/20 0.37

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
SCHEMBL3193287 0.93 TGM2 (0.46) TGM2KDREPHB4TEKTP53
SCHEMBL3189176 0.88 TGM2 (0.55) TGM2KDREPHB4TEKLMNA
SCHEMBL3187430 0.84 TDP1 (0.41) TP53LMNASMN1; SMN2NPC1MAPT
SCHEMBL3188716 0.81 TGM2 (0.55) TGM2KDREPHB4TEKLMNA
SCHEMBL3193371 0.80 TGM2 (0.55) TGM2EGFRBTKMAP2K7
SCHEMBL3193290 0.77 TDP1 (0.41) TP53LMNASMN1; SMN2NPC1MAPT
SCHEMBL3193313 0.77 TGM2 (0.63) TGM2LMNAF13A1TGM1TGM3
SCHEMBL3200554 0.73 TGM2 (0.68) TGM2LMNAF13A1TGM1TGM3
SCHEMBL3197660 0.72 TGM2 (0.55) TGM2EGFRBTKMAP2K7SRC
SCHEMBL31010503 0.71 ACHE (0.45) TP53LMNAHTTALDH1A1TRPV1

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 1 patent. 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

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 4191/4885KDR 4679/4885EPHB4 3773/4885

“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.