SCHEMBL12995205

SCHEMBL12995205

O=C(Nc1ccn([C@H]2CO[C@@H](CO)S2)c(=O)n1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.60
RIN1 Q13671 1/20 0.60
POLB P06746 1/20 0.55
P2RY6 Q15077 2/20 0.46
P2RY14 Q15391 2/20 0.46
NT5E P21589 1/20 0.46
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 3/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.37
CYP2C9 P11712 1/20 0.37
LMNA P02545 4/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CACNA1F O60840 2/20 0.35
ALB P02768 2/20 0.35
CACNA1D Q01668 2/20 0.35
CACNA1S Q13698 2/20 0.35

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
SCHEMBL13881215 1.00 ABL1 (0.60) ABL1RIN1POLBP2RY6P2RY14
SCHEMBL12995069 1.00 ABL1 (0.60) ABL1RIN1POLBP2RY6P2RY14
SCHEMBL12995112 0.89 ABL1 (0.52) ABL1RIN1POLBP2RY6P2RY14
SCHEMBL3657471 0.89 ABL1 (0.52) ABL1RIN1POLBP2RY6P2RY14
SCHEMBL3657470 0.89 ABL1 (0.52) ABL1RIN1POLBP2RY6P2RY14
SCHEMBL3658551 0.89 ABL1 (0.52) ABL1RIN1POLBP2RY6P2RY14
SCHEMBL3661995 0.89 ABL1 (0.52) ABL1RIN1POLBP2RY6P2RY14
SCHEMBL3761289 0.89 ABL1 (0.52) ABL1RIN1POLBP2RY6P2RY14
SCHEMBL13881204 0.87 ABL1 (0.50) ABL1RIN1POLBP2RY6P2RY14
SCHEMBL13881218 0.87 ABL1 (0.50) ABL1RIN1POLBP2RY6P2RY14

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 ABL1 3228/4885RIN1 4369/4885POLB 1817/4885

“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.