SCHEMBL12995194

SCHEMBL12995194

CC(C)(C)[Si](OC[C@H]1OC[C@@H](n2cc(F)c(NC(=O)c3ccccc3)nc2=O)S1)(c1ccccc1)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.34
LMNA P02545 2/20 0.34
KMT2A Q03164 2/20 0.34
NTRK1 P04629 5/20 0.32
SMYD2 Q9NRG4 2/20 0.32
MAPT P10636 2/20 0.32
HTT P42858 2/20 0.32
ABL1 P00519 1/20 0.32
RIN1 Q13671 1/20 0.32
DCK P27707 1/20 0.32
POLB P06746 1/20 0.32
ALK Q9UM73 1/20 0.31
ALDH1A1 P00352 1/20 0.31
NT5E P21589 1/20 0.31
P2RY6 Q15077 1/20 0.31
P2RY14 Q15391 1/20 0.31
CYP2C9 P11712 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
SCHEMBL13881304 1.00 CYP3A4 (0.34) CYP3A4LMNAKMT2ANTRK1SMYD2
SCHEMBL9067397 0.92 SMYD2 (0.34) LMNASMYD2NT5EP2RY6P2RY14
SCHEMBL9067138 0.92 SMYD2 (0.34) LMNASMYD2NT5EP2RY6P2RY14
SCHEMBL9067474 0.92 SMYD2 (0.34) LMNASMYD2NT5EP2RY6P2RY14
SCHEMBL13881305 0.91 LMNA (0.35) CYP3A4LMNAKMT2ANTRK1MAPT
SCHEMBL12995180 0.91 LMNA (0.35) CYP3A4LMNAKMT2ANTRK1MAPT
SCHEMBL12995192 0.87 SMYD2 (0.33) CYP3A4SMYD2
SCHEMBL13881205 0.85 LMNA (0.36) CYP3A4LMNAKMT2ANTRK1MAPT
SCHEMBL13881206 0.85 LMNA (0.36) CYP3A4LMNAKMT2ANTRK1MAPT
SCHEMBL3654823 0.85 POLB (0.38) LMNAKMT2AMAPTHTTABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2190839-B1 A PROCESS FOR CHIRAL RESOLUTION OF 2-SUBSTITUTED 4-SUBSTITUTED 1,3-OXATHIOLANES AVEXA LTD (AU) 2015-04-15 EP disclosed
US-8318934-B2 Process for chiral resolution of 2-substituted 4-substituted 1,3-oxathiolanes AVEXA LIMITED (AU) 2012-11-27 US disclosed
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
US-20100305321-A1 PROCESS FOR CHIRAL RESOLUTION OF 2-SUBSTITUTED 4-SUBSTITUTED 1,3-OXATHIOLANES AVEXA LIMITED (AU) 2010-12-02 US disclosed
WO-2009039582-A1 A PROCESS FOR CHIRAL RESOLUTION OF 2-SUBSTITUTED 4-SUBSTITUTED 1,3-OXATHIOLANES AVEXA LIMITED (AU) 2009-04-02 WO 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 CYP3A4 11/4885LMNA 4383/4885KMT2A 4117/4885

“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.