SCHEMBL12995177

SCHEMBL12995177

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

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.33
CYP3A4 P08684 3/20 0.32
DUT P33316 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
AVPR1A P37288 2/20 0.30
ABL1 P00519 1/20 0.30
RIN1 Q13671 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
SCHEMBL12995174 1.00 TOP2A (0.33) TOP2ACYP3A4DUTKDM4EMEN1
SCHEMBL12995189 0.91 SMYD2 (0.35) CYP3A4HTT
SCHEMBL12995188 0.91 SMYD2 (0.35) CYP3A4HTT
SCHEMBL12995197 0.88 KDM4E (0.31) KDM4EMEN1ALDH1A1TSHRMAPK1
SCHEMBL12995195 0.88 KDM4E (0.31) KDM4EMEN1ALDH1A1TSHRMAPK1
SCHEMBL12995145 0.87 ALDH1A1 (0.37) ALDH1A1MAPK1HTTABL1RIN1
SCHEMBL12995148 0.87 ALDH1A1 (0.37) ALDH1A1MAPK1HTTABL1RIN1
SCHEMBL12995151 0.86 ALDH1A1 (0.32) KDM4EMEN1ALDH1A1TSHRMAPK1
SCHEMBL12995150 0.86 ALDH1A1 (0.32) KDM4EMEN1ALDH1A1TSHRMAPK1
SCHEMBL14039295 0.85 ALDH1A1 (0.36) CYP3A4KDM4EMEN1ALDH1A1TSHR

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 TOP2A 204/4885CYP3A4 11/4885DUT 856/4885

“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.