SCHEMBL3597169

SCHEMBL3597169

C[C@H]1COCCN1c1cc(CS(=O)(=O)c2ccccc2C(F)(F)F)nc(Cl)n1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 13/20 0.47
PIK3CD O00329 4/20 0.47
PIK3C3 Q8NEB9 1/20 0.44
CHEK1 O14757 6/20 0.44
ATR Q13535 6/20 0.44
PDCD1 Q15116 6/20 0.44
ATRIP Q8WXE1 6/20 0.44
CD274 Q9NZQ7 6/20 0.44
MTOR P42345 8/20 0.43
PIK3R1 P27986 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
SCHEMBL4202707 0.88 PIK3CA (0.51) PIK3CAPIK3CDPIK3C3CHEK1ATR
SCHEMBL4201583 0.87 PIK3CA (0.50) PIK3CAPIK3CDPIK3C3CHEK1ATR
SCHEMBL739607 0.84 PIK3CA (0.52) PIK3CAPIK3CDCHEK1ATRPDCD1
SCHEMBL3590923 0.84 PIK3CA (0.56) PIK3CAPIK3CDCHEK1ATRPDCD1
SCHEMBL3603188 0.83 PIK3CA (0.49) PIK3CAPIK3CDPIK3C3CHEK1ATR
SCHEMBL3599581 0.81 PIK3CA (0.49) PIK3CAPIK3CDCHEK1ATRPDCD1
SCHEMBL4203833 0.81 PIK3CA (0.47) PIK3CAPIK3CDPIK3C3CHEK1ATR
SCHEMBL3588755 0.81 PIK3CA (0.49) PIK3CAPIK3CDCHEK1ATRPDCD1
SCHEMBL4201401 0.81 ATR (0.49) PIK3CAPIK3CDATRATRIPMTOR
SCHEMBL3597871 0.81 PIK3CA (0.50) PIK3CAPIK3CDPIK3C3CHEK1ATR

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 12 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-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
WO-2009007748-A2 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES ASTRAZENECA AB (SE) 2009-01-15 WO 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
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 PIK3CA 2/4885PIK3CD 4/4885PIK3C3 108/4885
US-20080171743-A1 Transcutaneous immunostimulation NFATC1, TLR9, MTOR PIK3CA 20/4885PIK3CD 19/4885PIK3C3 42/4885

“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.