SCHEMBL3189259

SCHEMBL3189259

C=CC(=O)Nc1ccc(Sc2ccc(OP(=O)(O)Oc3ccc(Sc4ccc(NC(=O)C=C)cc4)cc3)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 12/20 0.54
LMNA P02545 2/20 0.46
F13A1 P00488 2/20 0.46
TGM1 P22735 2/20 0.46
TGM3 Q08188 1/20 0.46
MAP2K7 O14733 1/20 0.40
NPC1 O15118 1/20 0.39
MITF O75030 1/20 0.39
XBP1 P17861 1/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NOD2 Q9HC29 1/20 0.39
ALDH1A1 P00352 2/20 0.38
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GSTO1 P78417 1/20 0.36

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
SCHEMBL3182349 0.92 TGM2 (0.54) TGM2LMNAF13A1TGM1TGM3
SCHEMBL3193313 0.91 TGM2 (0.63) TGM2LMNAF13A1TGM1TGM3
SCHEMBL3187588 0.90 TGM2 (0.55) TGM2LMNAF13A1TGM1TGM3
SCHEMBL3200554 0.87 TGM2 (0.68) TGM2LMNAF13A1TGM1TGM3
SCHEMBL18559537 0.84 TGM2 (0.71) TGM2LMNAF13A1TGM1TGM3
SCHEMBL3193297 0.83 TGM2 (0.54) TGM2LMNAF13A1TGM1TGM3
SCHEMBL3194158 0.82 TGM2 (0.55) TGM2LMNAF13A1TGM1TGM3
SCHEMBL907356 0.82 TGM2 (0.63) TGM2LMNAF13A1TGM1TGM3
SCHEMBL3188464 0.81 TGM2 (0.55) TGM2LMNAF13A1TGM1TGM3
SCHEMBL3189176 0.81 TGM2 (0.55) TGM2LMNAF13A1TGM1TGM3

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 4191/4885LMNA 1188/4885F13A1 2853/4885

“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.