SCHEMBL3593771

SCHEMBL3593771

C[C@H]1COCCN1c1cc(CS(=O)(=O)C2CC2)nc(Cl)n1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 7/20 0.49
PIK3CD O00329 4/20 0.49
MTOR P42345 4/20 0.47
PDCD1 Q15116 14/20 0.46
CD274 Q9NZQ7 14/20 0.46
ATR Q13535 12/20 0.46
CHEK1 O14757 11/20 0.46
ATRIP Q8WXE1 11/20 0.46
ATM Q13315 1/20 0.42

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
SCHEMBL2489233 1.00 PIK3CA (0.49) PIK3CAPIK3CDMTORPDCD1CD274
SCHEMBL2489230 1.00 PIK3CA (0.49) PIK3CAPIK3CDMTORPDCD1CD274
SCHEMBL4197852 0.98 PIK3CA (0.48) PIK3CAPIK3CDMTORPDCD1CD274
SCHEMBL3592216 0.96 PIK3CA (0.48) PIK3CAPIK3CDMTORPDCD1CD274
SCHEMBL3596220 0.95 PIK3CA (0.47) PIK3CAPIK3CDMTORPDCD1CD274
SCHEMBL4206542 0.94 PIK3CA (0.48) PIK3CAPIK3CDMTORPDCD1CD274
SCHEMBL2487510 0.87 PIK3CA (0.62) PIK3CAPIK3CDMTORPDCD1CD274
SCHEMBL738140 0.87 PIK3CA (0.62) PIK3CAPIK3CDMTORPDCD1CD274
SCHEMBL2487507 0.87 PIK3CA (0.62) PIK3CAPIK3CDMTORPDCD1CD274
SCHEMBL3596412 0.86 PIK3CA (0.51) PIK3CAPIK3CDMTORPDCD1CD274

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 11 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
US-20110053923-A1 CHEMICAL COMPOUNDS 610 ASTRAZENECA (SE) 2011-03-03 US disclosed
US-7750003-B2 Compounds-943 ASTRAZENECA AB (SE) 2010-07-06 US disclosed
US-7750003-B2 Compounds-943 ASTRAZENECA AB (SE) 2010-07-06 US disclosed
US-7750003-B2 Compounds-943 ASTRAZENECA AB (SE) 2010-07-06 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-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
US-20080171743-A1 Transcutaneous immunostimulation ASTRAZENECA AB (SE) 2008-07-17 US disclosed
US-20080171743-A1 Transcutaneous immunostimulation ASTRAZENECA AB (SE) 2008-07-17 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 (3 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 PIK3CA 2/4885PIK3CD 4/4885MTOR 1/4885
US-20080171743-A1 Transcutaneous immunostimulation NFATC1, TLR9, MTOR PIK3CA 20/4885PIK3CD 19/4885MTOR 3/4885
US-20110053923-A1 CHEMICAL COMPOUNDS 610 ABCG2, CYP3A7, CYP2C19 PIK3CA 1564/4885PIK3CD 2358/4885MTOR 954/4885

“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.