SCHEMBL10140532

SCHEMBL10140532

CC1CN(C2CCS(=O)(=O)CC2)C1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 1/20 0.37
ADRA1A P35348 2/20 0.33
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32

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
SCHEMBL10140528 0.80 SMN1; SMN2 (0.46) SMN1; SMN2MAPTKDM4EALDH1A1
SCHEMBL12717632 0.78
SCHEMBL12717643 0.78 SIGMAR1 (0.36) KDM4EALDH1A1
SCHEMBL16205340 0.77
SCHEMBL10119958 0.77 SMN1; SMN2 (0.35) SMN1; SMN2MAPT
SCHEMBL22271217 0.75 SIGMAR1 (0.39)
SCHEMBL27290181 0.75 SIGMAR1 (0.39)
SCHEMBL21573246 0.75 SIGMAR1 (0.39)
SCHEMBL20095864 0.75 SIGMAR1 (0.39)
SCHEMBL12774215 0.73 SMN1; SMN2 (0.47) SMN1; SMN2MAPTKDM4EALDH1A1

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 2114/4885MAPT 1271/4885ADRA1A 1328/4885

“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.