SCHEMBL14546246

SCHEMBL14546246

O=S(=O)(c1ccc(OCC(O)COc2ccccc2)cc1)c1ccc(OCC(O)COc2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 7/20 0.56
CA2 P00918 7/20 0.56
CA9 Q16790 7/20 0.56
CA7 P43166 3/20 0.56
CA4 P22748 2/20 0.56
ALDH1A1 P00352 1/20 0.54
CA12 O43570 5/20 0.52
ADRB1 P08588 4/20 0.52
ADRB2 P07550 3/20 0.52
KDM4E B2RXH2 1/20 0.51
CYP2D6 P10635 2/20 0.50
LMNA P02545 2/20 0.50
MAPT P10636 2/20 0.50
HTT P42858 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
TSHR P16473 1/20 0.50
HIF1A Q16665 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
ADRB3 P13945 1/20 0.49
POLB P06746 1/20 0.49

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
SCHEMBL9559214 0.94 CA1 (0.51) CA1CA2CA9CA7CA4
SCHEMBL51473 0.86 GAA (0.56) CA1CA2CA9CA7CA4
SCHEMBL1395596 0.86 GAA (0.56) CA1CA2CA9CA7CA4
SCHEMBL12311421 0.85 MEN1 (0.69) CA1CA2CA9CA7CA4
SCHEMBL14565121 0.84 BACE1 (0.57) CA1CA2CA9CA7CA4
SCHEMBL267463 0.83 LMNA (0.68) ADRB1ADRB2KDM4ECYP2D6LMNA
SCHEMBL1793032 0.83 CA1 (0.50) CA1CA2CA9CA7CA4
SCHEMBL9421434 0.83 CA1 (0.55) CA1CA2CA9CA7CA4
Sulfamate SCHEMBL9451452 0.82 CA1 (0.55) CA1CA2CA9CA7CA4
SCHEMBL9421523 0.80 ALDH1A1 (0.55) CA1CA2CA9CA7CA4

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
EP-1627867-B1 (METH)ACRYLIC ESTER COMPOUND AND USE THEREOF MITSUI CHEMICALS INC (JP) 2016-01-20 EP disclosed
US-20070078198-A1 (Meth) acrylic ester compound and use thereof MITSUI CHEMICALS, INC. (JP) 2007-04-05 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-20070078198-A1 (Meth) acrylic ester compound and use thereof METTL14, PAM, TAS2R41 CA1 2098/4885CA2 2909/4885CA9 2668/4885

“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.