SCHEMBL21490197

SCHEMBL21490197

O=C(NC1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)CC1CCN(C(=O)OCc2ccccc2)CC1)c1ccc2[nH]c(=O)oc2c1

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 11/20 0.69
ENPP2 Q13822 7/20 0.53
ATXN2 Q99700 3/20 0.52
KCNH2 Q12809 1/20 0.44

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
SCHEMBL17591753 1.00 SMYD3 (0.69) SMYD3ENPP2ATXN2KCNH2
SCHEMBL17591754 1.00 SMYD3 (0.69) SMYD3ENPP2ATXN2KCNH2
SCHEMBL23575871 0.82 SMYD3 (1.00) SMYD3
SCHEMBL17591802 0.82 SMYD3 (1.00) SMYD3
SCHEMBL17591810 0.82 SMYD3 (1.00) SMYD3
Hydrochloric Acid SCHEMBL20906683 0.82 SMYD3 (0.98) SMYD3
Hydrochloric Acid SCHEMBL17591890 0.82 SMYD3 (0.98) SMYD3
Hydrochloric Acid SCHEMBL20906682 0.82 SMYD3 (0.98) SMYD3
Hydrochloric Acid SCHEMBL17591889 0.82 SMYD3 (0.98) SMYD3
Hydrochloric Acid SCHEMBL17591887 0.82 SMYD3 (0.98) SMYD3

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-20190322660-A1 SMYD INHIBITORS Epizyme, Inc. 2019-10-24 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-20190322660-A1 SMYD INHIBITORS SMYD2, SMYD3, SMURF2 SMYD3 2/4885ENPP2 2026/4885ATXN2 624/4885

“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.