SCHEMBL4534577

SCHEMBL4534577

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

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 12/20 0.66
PIK3CD O00329 6/20 0.66
MTOR P42345 10/20 0.65
ATR Q13535 5/20 0.51
CHEK1 O14757 4/20 0.51
PDCD1 Q15116 4/20 0.51
ATRIP Q8WXE1 4/20 0.51
CD274 Q9NZQ7 4/20 0.51

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
SCHEMBL8213703 0.93 PIK3CA (0.67) PIK3CAPIK3CDMTORATRCHEK1
SCHEMBL4529862 0.88 PIK3CA (0.72) PIK3CAPIK3CDMTORATRCHEK1
SCHEMBL4526678 0.87 MTOR (0.74) PIK3CAPIK3CDMTORATRCHEK1
SCHEMBL739897 0.86 PIK3CA (0.72) PIK3CAPIK3CDMTORATRCHEK1
SCHEMBL3051750 0.86 PIK3CA (0.77) PIK3CAPIK3CDMTORATRCHEK1
SCHEMBL13606537 0.85 MTOR (0.74) PIK3CAPIK3CDMTORATR
SCHEMBL3050571 0.83 PIK3CA (0.81) PIK3CAPIK3CDMTORATRCHEK1
SCHEMBL738142 0.83 PIK3CA (0.81) PIK3CAPIK3CDMTORATRCHEK1
SCHEMBL13257213 0.82 PIK3CA (0.80) PIK3CAPIK3CDMTORATRCHEK1
SCHEMBL4538321 0.81 MTOR (0.68) PIK3CAPIK3CDMTORATR

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
US-20090325957-A1 MORPHOLINO PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2009-12-31 US disclosed
US-20090325957-A1 MORPHOLINO PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2009-12-31 US disclosed
US-20090325957-A1 MORPHOLINO PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2009-12-31 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-20090325957-A1 MORPHOLINO PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF PROLIFERATIVE DISORDERS TYMP, PIK3CA, TYMS PIK3CA 2/4885PIK3CD 5/4885MTOR 4/4885

“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.