SCHEMBL12995146

SCHEMBL12995146

O=C(Cc1nc(=O)n([C@@H]2CO[C@H](COC(=O)c3ccccc3)S2)cc1F)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
HTT P42858 1/20 0.34
BACE1 P56817 1/20 0.34
NPC1 O15118 3/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNA5 P30532 1/20 0.32
CHRNA7 P36544 1/20 0.32
CHRNA4 P43681 1/20 0.32
USP2 O75604 1/20 0.32
RAB9A P51151 2/20 0.32
RXFP1 Q9HBX9 1/20 0.32
POLB P06746 2/20 0.32
DCK P27707 1/20 0.32
PPM1B O75688 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ABL1 P00519 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
SCHEMBL12995147 1.00 ALDH1A1 (0.35) ALDH1A1HTTBACE1NPC1CHRNB2
SCHEMBL12995154 0.93 DCK (0.31) ALDH1A1HTTNPC1RAB9APOLB
SCHEMBL12995158 0.93 DCK (0.31) ALDH1A1HTTNPC1RAB9APOLB
SCHEMBL12995169 0.89 ALB (0.37) ALDH1A1HTTNPC1RAB9APOLB
SCHEMBL12995168 0.89 ALB (0.37) ALDH1A1HTTNPC1RAB9APOLB
SCHEMBL14039219 0.88 KMT2A (0.35) ALDH1A1HTTNPC1RAB9APOLB
SCHEMBL12995176 0.87 TOP2A (0.30)
SCHEMBL12995198 0.87
SCHEMBL12995199 0.87
SCHEMBL6901606 0.86 DCK (0.44) ALDH1A1HTTBACE1DCK

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 3784/4885BACE1 1591/4885

“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.