SCHEMBL12995167

SCHEMBL12995167

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.38
RIN1 Q13671 1/20 0.38
MAPT P10636 4/20 0.36
LMNA P02545 3/20 0.36
CACNA1F O60840 2/20 0.36
ALB P02768 2/20 0.36
CACNA1D Q01668 2/20 0.36
CACNA1S Q13698 2/20 0.36
CACNA1C Q13936 2/20 0.36
PDE3A Q14432 2/20 0.36
POLB P06746 2/20 0.35
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
TSHR P16473 2/20 0.33
MAPK1 P28482 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HTT P42858 1/20 0.33
GLA P06280 1/20 0.32
L3MBTL1 Q9Y468 2/20 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
SCHEMBL12995339 1.00 ABL1 (0.38) ABL1RIN1MAPTLMNACACNA1F
SCHEMBL12995166 1.00 ABL1 (0.38) ABL1RIN1MAPTLMNACACNA1F
SCHEMBL14039295 0.91 ALDH1A1 (0.36) ABL1RIN1MAPTLMNAPOLB
SCHEMBL14039175 0.91 ALDH1A1 (0.36) ABL1RIN1MAPTLMNAPOLB
SCHEMBL12995145 0.89 ALDH1A1 (0.37) ABL1RIN1POLBALDH1A1MAPK1
SCHEMBL12995148 0.89 ALDH1A1 (0.37) ABL1RIN1POLBALDH1A1MAPK1
SCHEMBL12995150 0.86 ALDH1A1 (0.32) ABL1RIN1MAPTLMNAPOLB
SCHEMBL12995151 0.86 ALDH1A1 (0.32) ABL1RIN1MAPTLMNAPOLB
SCHEMBL12995197 0.84 KDM4E (0.31) ABL1RIN1ALDH1A1KDM4ETSHR
SCHEMBL12995174 0.84 TOP2A (0.33) ABL1RIN1ALDH1A1KDM4ETSHR

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 ABL1 3228/4885RIN1 4369/4885MAPT 3694/4885

“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.