SCHEMBL12995145

SCHEMBL12995145

O=C(Cc1ccn([C@H]2CO[C@@H](COC(=O)c3ccccc3)S2)c(=O)n1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
CHRNB2 P17787 1/20 0.34
CHRNA5 P30532 1/20 0.34
CHRNA7 P36544 1/20 0.34
CHRNA4 P43681 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
HTT P42858 1/20 0.34
POLB P06746 2/20 0.33
PPM1B O75688 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ABL1 P00519 1/20 0.32
RIN1 Q13671 1/20 0.32
CES2 O00748 1/20 0.32
FOLH1 Q04609 1/20 0.32
BACE1 P56817 1/20 0.32
GAA P10253 1/20 0.32
MAPK1 P28482 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL12995148 1.00 ALDH1A1 (0.37) ALDH1A1CHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL12995151 0.93 ALDH1A1 (0.32) ALDH1A1CHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL12995150 0.93 ALDH1A1 (0.32) ALDH1A1CHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL12995166 0.89 ABL1 (0.38) ALDH1A1NPC1RAB9AHTTPOLB
SCHEMBL12995167 0.89 ABL1 (0.38) ALDH1A1NPC1RAB9AHTTPOLB
SCHEMBL12995339 0.89 ABL1 (0.38) ALDH1A1NPC1RAB9AHTTPOLB
SCHEMBL14039175 0.88 ALDH1A1 (0.36) ALDH1A1NPC1RAB9AHTTPOLB
SCHEMBL14039295 0.88 ALDH1A1 (0.36) ALDH1A1NPC1RAB9AHTTPOLB
SCHEMBL12995197 0.87 KDM4E (0.31) ALDH1A1HTTABL1RIN1MAPK1
SCHEMBL12995174 0.87 TOP2A (0.33) ALDH1A1HTTABL1RIN1MAPK1

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 248/4885CHRNB2 2665/4885CHRNA5 3294/4885

“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.