SCHEMBL3597871

SCHEMBL3597871

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

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 8/20 0.50
MTOR P42345 5/20 0.50
POLB P06746 1/20 0.49
PIK3CD O00329 3/20 0.48
ATR Q13535 10/20 0.43
ATRIP Q8WXE1 8/20 0.43
CHEK1 O14757 7/20 0.43
PDCD1 Q15116 7/20 0.43
CD274 Q9NZQ7 7/20 0.43
PIK3C3 Q8NEB9 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
SCHEMBL3596530 0.92 POLB (0.59) PIK3CAMTORPOLBPIK3CDATR
SCHEMBL4211899 0.91 POLB (0.53) PIK3CAMTORPOLBPIK3CDATR
SCHEMBL3601143 0.91 PIK3CA (0.46) PIK3CAMTORPOLBPIK3CDATR
SCHEMBL4201332 0.90 POLB (0.48) PIK3CAMTORPOLBPIK3CDATR
SCHEMBL8093576 0.90 PIK3CA (0.50) PIK3CAMTORPOLBPIK3CDATR
SCHEMBL739607 0.90 PIK3CA (0.52) PIK3CAMTORPOLBPIK3CDATR
SCHEMBL4206582 0.89 POLB (0.47) PIK3CAMTORPOLBPIK3CDATR
SCHEMBL4301766 0.89 POLB (0.47) PIK3CAMTORPOLBPIK3CDATR
SCHEMBL4198692 0.89 PIK3CA (0.50) PIK3CAMTORPOLBPIK3CDATR
SCHEMBL3595007 0.89 ATR (0.50) PIK3CAMTORPOLBPIK3CDATR

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 10 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
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 (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 2/4885MTOR 1/4885POLB 841/4885
US-20080171743-A1 Transcutaneous immunostimulation NFATC1, TLR9, MTOR PIK3CA 20/4885MTOR 3/4885POLB 475/4885

“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.