SCHEMBL21489972

SCHEMBL21489972

NC1CCC(S(=O)(=O)N2[C@@H]3CC[C@H]2CC(NC(=O)c2ccc4c(c2)OC(F)(F)O4)C3)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 19/20 1.00

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
SCHEMBL19701459 1.00 SMYD3 (1.00) SMYD3
SCHEMBL17591797 1.00 SMYD3 (1.00) SMYD3
SCHEMBL17591798 1.00 SMYD3 (1.00) SMYD3
Trifluoroacetic Acid SCHEMBL29779551 0.95 SMYD3 (0.90) SMYD3
Trifluoroacetic Acid SCHEMBL17591876 0.95 SMYD3 (0.90) SMYD3
Trifluoroacetic Acid SCHEMBL17591877 0.95 SMYD3 (0.90) SMYD3
SCHEMBL17592029 0.89 SMYD3 (0.79) SMYD3
SCHEMBL17592028 0.89 SMYD3 (0.79) SMYD3
SCHEMBL29779526 0.89 SMYD3 (0.79) SMYD3
SCHEMBL23575892 0.87 SMYD3 (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210198252-A1 SMYD INHIBITORS EPIZYME INC (US) 2021-07-01 US claimed
US-20190322660-A1 SMYD INHIBITORS Epizyme, Inc. 2019-10-24 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20210198252-A1 SMYD INHIBITORS SMYD3, SMYD2, SMURF2 SMYD3 1/4885
US-20190322660-A1 SMYD INHIBITORS SMYD2, SMYD3, SMURF2 SMYD3 2/4885

“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.