SCHEMBL12995151

SCHEMBL12995151

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.32
HTT P42858 2/20 0.32
TSHR P16473 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
MAPK1 P28482 1/20 0.32
ABL1 P00519 1/20 0.31
RIN1 Q13671 1/20 0.31
NPC1 O15118 2/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNA5 P30532 1/20 0.31
CHRNA7 P36544 1/20 0.31
CHRNA4 P43681 1/20 0.31
NLRP3 Q96P20 1/20 0.31
RAB9A P51151 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
LMNA P02545 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
SCHEMBL12995150 1.00 ALDH1A1 (0.32) ALDH1A1HTTTSHRKMT2AKDM4E
SCHEMBL12995148 0.93 ALDH1A1 (0.37) ALDH1A1HTTMAPK1ABL1RIN1
SCHEMBL12995145 0.93 ALDH1A1 (0.37) ALDH1A1HTTMAPK1ABL1RIN1
SCHEMBL14039295 0.88 ALDH1A1 (0.36) ALDH1A1HTTTSHRKMT2AKDM4E
SCHEMBL14039175 0.88 ALDH1A1 (0.36) ALDH1A1HTTTSHRKMT2AKDM4E
SCHEMBL12995197 0.86 KDM4E (0.31) ALDH1A1HTTTSHRKMT2AKDM4E
SCHEMBL12995174 0.86 TOP2A (0.33) ALDH1A1HTTTSHRKMT2AKDM4E
SCHEMBL12995177 0.86 TOP2A (0.33) ALDH1A1HTTTSHRKMT2AKDM4E
SCHEMBL12995195 0.86 KDM4E (0.31) ALDH1A1HTTTSHRKMT2AKDM4E
SCHEMBL12995166 0.86 ABL1 (0.38) ALDH1A1HTTTSHRKMT2AKDM4E

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 ALDH1A1 248/4885HTT 3784/4885TSHR 3690/4885

“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.