SCHEMBL3596530

SCHEMBL3596530

C[C@H]1COCCN1c1cc(CS(=O)(=O)c2ccc(Cl)cc2)nc(Cl)n1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.59
PIK3CA P42336 10/20 0.49
PIK3CD O00329 4/20 0.49
MTOR P42345 7/20 0.47
ALDH1A1 P00352 3/20 0.45
ATR Q13535 6/20 0.42
CHEK1 O14757 4/20 0.42
PDCD1 Q15116 4/20 0.42
ATRIP Q8WXE1 4/20 0.42
CD274 Q9NZQ7 4/20 0.42
LMNA P02545 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.41
HPGD P15428 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL4211899 0.93 POLB (0.53) POLBPIK3CAPIK3CDMTORALDH1A1
SCHEMBL3597871 0.92 PIK3CA (0.50) POLBPIK3CAPIK3CDMTORATR
SCHEMBL8093576 0.92 PIK3CA (0.50) POLBPIK3CAPIK3CDMTORATR
SCHEMBL739607 0.92 PIK3CA (0.52) POLBPIK3CAPIK3CDMTORALDH1A1
SCHEMBL3595007 0.91 ATR (0.50) POLBPIK3CAPIK3CDMTORALDH1A1
SCHEMBL13257420 0.91 POLB (0.72) POLBPIK3CAPIK3CDMTORALDH1A1
SCHEMBL4198599 0.90 POLB (0.48) POLBPIK3CAPIK3CDMTORALDH1A1
SCHEMBL4201332 0.90 POLB (0.48) POLBPIK3CAPIK3CDMTORATR
SCHEMBL4301766 0.89 POLB (0.47) POLBPIK3CAPIK3CDMTORATR
SCHEMBL4206582 0.89 POLB (0.47) POLBPIK3CAPIK3CDMTORATR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2057140-B1 MORPHOLINO PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2012-08-08 EP disclosed
EP-2057140-B1 MORPHOLINO PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2012-08-08 EP disclosed
US-7750003-B2 Compounds-943 ASTRAZENECA AB (SE) 2010-07-06 US disclosed
EP-2057140-A1 MORPHOLINO PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF PROLIFERATIVE DISORDERS AstraZeneca AB (SE) 2009-05-13 EP disclosed
US-20090018134-A1 Compounds - 945 ASTRAZENECA AB (SE) 2009-01-15 US disclosed
US-20090018134-A1 Compounds - 945 ASTRAZENECA AB (SE) 2009-01-15 US disclosed
US-20090018134-A1 Compounds - 945 ASTRAZENECA AB (SE) 2009-01-15 US disclosed
US-20080171743-A1 Transcutaneous immunostimulation ASTRAZENECA AB (SE) 2008-07-17 US disclosed
WO-2008023159-A1 MORPHOLINO PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2008-02-28 WO 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 (2 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-20090018134-A1 Compounds - 945 MTOR, PIK3CA, PIK3R5 POLB 841/4885PIK3CA 2/4885PIK3CD 4/4885
US-20080171743-A1 Transcutaneous immunostimulation NFATC1, TLR9, MTOR POLB 475/4885PIK3CA 20/4885PIK3CD 19/4885

“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.