SCHEMBL10140528

SCHEMBL10140528

CC1CCN(C2CCS(=O)(=O)CC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 5/20 0.42
POLB P06746 1/20 0.42
ALDH1A1 P00352 4/20 0.40
DHCR7 Q9UBM7 3/20 0.38
EBP Q15125 2/20 0.38
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALOX15 P16050 1/20 0.35
CYP2D6 P10635 2/20 0.34
HTT P42858 1/20 0.34
TLR9 Q9NR96 1/20 0.32
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
KCNH2 Q12809 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
NPC1 O15118 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
SCHEMBL1286689 0.83 KDM4E (0.43) SMN1; SMN2KDM4EPOLBALDH1A1DHCR7
SCHEMBL15014627 0.83 KDM4E (0.43) SMN1; SMN2KDM4EPOLBALDH1A1DHCR7
SCHEMBL10140532 0.80 SMN1; SMN2 (0.38) SMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL12774215 0.80 SMN1; SMN2 (0.47) SMN1; SMN2KDM4EALDH1A1LMNAMAPT
SCHEMBL763685 0.79 KDM4E (0.44) KDM4EPOLBALDH1A1DHCR7EBP
SCHEMBL803892 0.79 KDM4E (0.44) KDM4EPOLBALDH1A1DHCR7EBP
SCHEMBL22124254 0.78 SMN1; SMN2 (0.46) SMN1; SMN2MAPTCYP2D6TLR9TLR8
SCHEMBL26118274 0.78 KDM4E (0.47) KDM4EPOLBALDH1A1DHCR7EBP
SCHEMBL82615 0.78 KDM4E (0.47) KDM4EPOLBALDH1A1DHCR7EBP
SCHEMBL10119956 0.78 OPRL1 (0.43) SMN1; SMN2TLR9TLR8TLR7

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-8293736-B2 Purine compounds selective for PI3K P110 delta, and methods of use F. HOFFMANN LA ROCHE AG (CH) 2012-10-23 US disclosed
US-20120015931-A1 PURINE COMPOUNDS SELECTIVE FOR PI3K P110 DELTA, AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 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-20120015931-A1 PURINE COMPOUNDS SELECTIVE FOR PI3K P110 DELTA, AND METHODS OF USE PIK3CA, PIK3CD, PIK3CG SMN1; SMN2 2114/4885KDM4E 3949/4885POLB 200/4885

“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.