SCHEMBL4766616

SCHEMBL4766616

CCS(=O)(=O)C(C)C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 1/20 0.43
CA2 P00918 2/20 0.33
CA1 P00915 1/20 0.33
EPHX1 P07099 1/20 0.33
TP53 P04637 1/20 0.32
ALOX15 P16050 1/20 0.31
CA14 Q9ULX7 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
SCHEMBL4013193 0.83 SMYD3 (0.36) SMYD3CA2CA1EPHX1TP53
SCHEMBL7400051 0.80 CA2 (0.46) SMYD3CA2CA1EPHX1TP53
SCHEMBL4602869 0.78 CA2 (0.53) CA2CA1EPHX1TP53
SCHEMBL3351207 0.77 CA1 (0.33) CA1
SCHEMBL7771049 0.76 CA1 (0.34) SMYD3CA2CA1EPHX1ALOX15
SCHEMBL17189654 0.76 SMYD3 (0.40) SMYD3
SCHEMBL8624021 0.76 SMYD3 (0.40) SMYD3TP53
Hydrochloric Acid SCHEMBL3349160 0.75 CA1 (0.32) CA1
SCHEMBL10784273 0.74 SMYD3 (0.39) SMYD3
SCHEMBL14246713 0.73 SMYD3 (0.37) SMYD3EPHX1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1963259-A2 SUBSTITUTED DIPHENYLETHERS, -AMINES, -SULFIDES AND -METHANES FOR THE TREATMENT OF RESPIRATORY DISEASE AstraZeneca AB (SE) 2008-09-03 EP claimed
WO-2007068894-A2 SUBSTITUTED DIPHENYLETHERS, -AMINES, -SULFIDES AND -METHANES FOR THE TREATMENT OF RESPIRATORY DISEASE ASTRAZENECA AB (SE) 2007-06-21 WO claimed
US-20230101819-A1 SMYD Inhibitors EPIZYME INC (US) 2023-03-30 US disclosed
US-20210198252-A1 SMYD INHIBITORS EPIZYME INC (US) 2021-07-01 US disclosed
US-20190322660-A1 SMYD INHIBITORS Epizyme, Inc. 2019-10-24 US disclosed
US-10266526-B2 Substituted 1,2,3-triazoles as SMYD inhibitors for treating cancer Epizyme, Inc. (US) 2019-04-23 US disclosed
US-20170355695-A1 SMYD Inhibitors Epizyme, Inc. (US) 2017-12-14 US disclosed
CN-106536489-A Novel compounds 葛兰素史密斯克莱知识产权发展有限公司 2017-03-22 CN 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 (5 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-10266526-B2 Substituted 1,2,3-triazoles as SMYD inhibitors for treating cancer SMYD3, SMYD2, SNRPD3 SMYD3 1/4885CA2 1680/4885CA1 3908/4885
US-20170355695-A1 SMYD Inhibitors SMYD3, SMYD2, SMURF2 SMYD3 1/4885CA2 1550/4885CA1 3738/4885
US-20210198252-A1 SMYD INHIBITORS SMYD3, SMYD2, SMURF2 SMYD3 1/4885CA2 1603/4885CA1 3736/4885
US-20190322660-A1 SMYD INHIBITORS SMYD2, SMYD3, SMURF2 SMYD3 2/4885CA2 1599/4885CA1 3556/4885
US-20230101819-A1 SMYD Inhibitors SMYD3, SMYD2, SMURF2 SMYD3 1/4885CA2 1534/4885CA1 3768/4885

“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.