SCHEMBL19710108

SCHEMBL19710108

O=CN[C@H]1C[C@H]2CC[C@@H](C1)N2[SH](=O)=O

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 4/20 0.44
ADH1A P07327 4/20 0.44
ADH1C P00326 3/20 0.41
ADH7 P40394 2/20 0.41
ADH4 P08319 1/20 0.40

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
SCHEMBL4132984 0.75 ADH1B (0.48) ADH1BADH1AADH1CADH7ADH4
SCHEMBL21319727 0.69 ADH1B (0.65) ADH1BADH1AADH1CADH7ADH4
SCHEMBL1781470 0.68 ADH1B (0.52) ADH1BADH1AADH1CADH7ADH4
SCHEMBL13189336 0.68 ADH1B (0.52) ADH1BADH1AADH1CADH7ADH4
SCHEMBL115609 0.64
SCHEMBL21997344 0.64 ADH1B (1.00) ADH1BADH1AADH1CADH7ADH4
SCHEMBL19658308 0.64 ADH1B (1.00) ADH1BADH1AADH1CADH7ADH4
SCHEMBL19872335 0.64 ADH1B (0.56) ADH1BADH1AADH1CADH7ADH4
SCHEMBL360144 0.63
Hydrochloric Acid SCHEMBL9205102 0.62

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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

For each of this compound's patents that has machine-readable text (3 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 ADH1B 1869/4885ADH1A 1451/4885ADH1C 1626/4885
US-20170355695-A1 SMYD Inhibitors SMYD3, SMYD2, SMURF2 ADH1B 2018/4885ADH1A 1342/4885ADH1C 1312/4885
US-20190322660-A1 SMYD INHIBITORS SMYD2, SMYD3, SMURF2 ADH1B 1823/4885ADH1A 1374/4885ADH1C 1522/4885

“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.