SCHEMBL12995169

SCHEMBL12995169

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALB P02768 3/20 0.37
ABL1 P00519 1/20 0.34
RIN1 Q13671 1/20 0.34
DCK P27707 2/20 0.33
KMT2A Q03164 3/20 0.33
MAPT P10636 3/20 0.33
MEN1 O00255 2/20 0.33
POLB P06746 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
LMNA P02545 3/20 0.31
CACNA1F O60840 2/20 0.30
CACNA1D Q01668 2/20 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
SCHEMBL12995168 1.00 ALB (0.37) ALBABL1RIN1DCKKMT2A
SCHEMBL14039219 0.91 KMT2A (0.35) ALBABL1RIN1DCKKMT2A
SCHEMBL12995146 0.89 ALDH1A1 (0.35) ABL1RIN1DCKKMT2AMAPT
SCHEMBL12995158 0.87 DCK (0.31) DCKKMT2AMAPTMEN1POLB
SCHEMBL12995154 0.87 DCK (0.31) DCKKMT2AMAPTMEN1POLB
SCHEMBL12995176 0.85 TOP2A (0.30)
SCHEMBL12995198 0.85
SCHEMBL12995199 0.85
SCHEMBL13881517 0.83 ABL1 (0.41) ALBABL1RIN1DCKKMT2A
SCHEMBL13881207 0.83 ABL1 (0.41) ALBABL1RIN1DCKKMT2A

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 ALB 2714/4885ABL1 3228/4885RIN1 4369/4885

“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.