SCHEMBL12995189

SCHEMBL12995189

CC(C)(C)[Si](OC[C@H]1OC[C@@H](n2ccc(CC(=O)c3ccccc3)nc2=O)S1)(c1ccccc1)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SMYD2 Q9NRG4 3/20 0.35
CYP3A4 P08684 2/20 0.33
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL12995188 1.00 SMYD2 (0.35) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL12995174 0.91 TOP2A (0.33) CYP3A4HTT
SCHEMBL12995177 0.91 TOP2A (0.33) CYP3A4HTT
SCHEMBL12995195 0.85 KDM4E (0.31) HTT
SCHEMBL12995197 0.85 KDM4E (0.31) HTT
SCHEMBL12995145 0.85 ALDH1A1 (0.37) HTT
SCHEMBL12995148 0.85 ALDH1A1 (0.37) HTT
SCHEMBL12995192 0.85 SMYD2 (0.33) SMYD2CYP3A4
SCHEMBL12995151 0.84 ALDH1A1 (0.32) HTT
SCHEMBL12995150 0.84 ALDH1A1 (0.32) HTT

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-8318934-B2 Process for chiral resolution of 2-substituted 4-substituted 1,3-oxathiolanes AVEXA LIMITED (AU) 2012-11-27 US disclosed
US-20100305321-A1 PROCESS FOR CHIRAL RESOLUTION OF 2-SUBSTITUTED 4-SUBSTITUTED 1,3-OXATHIOLANES AVEXA LIMITED (AU) 2010-12-02 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-20100305321-A1 PROCESS FOR CHIRAL RESOLUTION OF 2-SUBSTITUTED 4-SUBSTITUTED 1,3-OXATHIOLANES DHPS, ICMT, ORC3 SMYD2 1904/4885CYP3A4 11/4885HTT 3784/4885

“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.