SCHEMBL4201772

SCHEMBL4201772

C[C@H]1COCCN1c1cc(CS(=O)(=O)c2ccc(F)cn2)nc(Cl)n1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 7/20 0.45
PIK3CD O00329 3/20 0.45
MTOR P42345 5/20 0.43
ATR Q13535 13/20 0.43
ATRIP Q8WXE1 11/20 0.43
CHEK1 O14757 10/20 0.43
PDCD1 Q15116 10/20 0.43
CD274 Q9NZQ7 10/20 0.43

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
SCHEMBL4203833 0.87 PIK3CA (0.47) PIK3CAPIK3CDMTORATRATRIP
SCHEMBL3597871 0.87 PIK3CA (0.50) PIK3CAPIK3CDMTORATRATRIP
SCHEMBL3599581 0.85 PIK3CA (0.49) PIK3CAPIK3CDMTORATRATRIP
SCHEMBL4201797 0.84 PIK3CA (0.46) PIK3CAPIK3CDMTORATRATRIP
SCHEMBL3601143 0.84 PIK3CA (0.46) PIK3CAPIK3CDMTORATRATRIP
SCHEMBL4198692 0.82 PIK3CA (0.50) PIK3CAPIK3CDMTORATRATRIP
SCHEMBL4194610 0.82 PIK3CA (0.44) PIK3CAPIK3CDMTORATRATRIP
SCHEMBL4201332 0.81 POLB (0.48) PIK3CAPIK3CDMTORATRATRIP
SCHEMBL739607 0.81 PIK3CA (0.52) PIK3CAPIK3CDMTORATRATRIP
SCHEMBL3596530 0.81 POLB (0.59) PIK3CAPIK3CDMTORATRATRIP

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-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

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-20090018134-A1 Compounds - 945 MTOR, PIK3CA, PIK3R5 PIK3CA 2/4885PIK3CD 4/4885MTOR 1/4885

“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.