SCHEMBL4008532

SCHEMBL4008532

COC(=O)CCc1cnc(OC)s1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RPS6KB2 Q9UBS0 1/20 0.43
SLC6A3 Q01959 1/20 0.42
FFAR1 O14842 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.38
TSHR P16473 2/20 0.38
MAPT P10636 3/20 0.37
GAA P10253 2/20 0.37
CYP11B1 P15538 4/20 0.36
CYP11B2 P19099 4/20 0.36
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PDE10A Q9Y233 1/20 0.36
MEN1 O00255 1/20 0.35
SMN1; SMN2 Q16637 1/20 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
SCHEMBL15825442 0.82 RPS6KB2 (0.44) RPS6KB2KDM4EHPGDTSHRMAPT
SCHEMBL10289763 0.82 RPS6KB2 (0.44) RPS6KB2SLC6A3FFAR1KDM4EHPGD
SCHEMBL4594749 0.81 SMN1; SMN2 (0.55) RPS6KB2KDM4EHPGDTSHRMAPT
SCHEMBL15796237 0.79 SLC6A3 (0.44) RPS6KB2SLC6A3FFAR1ALDH1A1LMNA
Bromide SCHEMBL15825194 0.79 SMN1; SMN2 (0.54) RPS6KB2KDM4EHPGDTSHRMAPT
SCHEMBL12868678 0.78 RPS6KB2 (0.41) RPS6KB2KDM4EHPGDTSHRMAPT
SCHEMBL13091417 0.78 RPS6KB2 (0.44) RPS6KB2SLC6A3KDM4EHPGDTSHR
SCHEMBL15820082 0.78 RPS6KB2 (0.41) RPS6KB2KDM4EHPGDTSHRMAPT
SCHEMBL5128640 0.77 RPS6KB2 (0.40) RPS6KB2KDM4EHPGDTSHRMAPT
SCHEMBL15796829 0.77 STING1 (0.39) SLC6A3FFAR1KDM4EHPGDALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2044063-A1 PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER Astra Zeneca AB (SE) 2009-04-08 EP disclosed
WO-2008001070-A1 PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-01-03 WO disclosed
US-20080004302-A1 Novel Compounds ASTRAZENECA AB (SE) 2008-01-03 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-20080004302-A1 Novel Compounds CYP11B2, CYP11B1, CYP46A1 RPS6KB2 93/4885SLC6A3 4071/4885FFAR1 1591/4885

“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.