SCHEMBL4433833

SCHEMBL4433833

CC(C)(C)[Si](C)(C)OCCN(Cc1cc2c(N3CCOCC3)nc(Cl)nc2s1)S(C)(=O)=O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 12/20 0.46
PIK3CB P42338 9/20 0.46
SMN1; SMN2 Q16637 1/20 0.37
MTOR P42345 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CNR1 P21554 1/20 0.32
HTR6 P50406 1/20 0.32
PIK3R1 P27986 2/20 0.30
MEN1 O00255 1/20 0.30

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
SCHEMBL4444108 0.85 PIK3CA (0.53) PIK3CAPIK3CBSMN1; SMN2MTORKDM4E
SCHEMBL1862478 0.80 PIK3CA (0.67) PIK3CAPIK3CBSMN1; SMN2MTORKDM4E
SCHEMBL4555199 0.79 SMN1; SMN2 (0.41) PIK3CAPIK3CBSMN1; SMN2KDM4EALDH1A1
SCHEMBL1856526 0.74 PIK3CA (0.51) PIK3CAPIK3CBSMN1; SMN2MTORPIK3R1
SCHEMBL5138967 0.72 PIK3CA (0.50) PIK3CAPIK3CBSMN1; SMN2MTORKDM4E
SCHEMBL5139108 0.72 PIK3CA (0.47) PIK3CAPIK3CBSMN1; SMN2KDM4EALDH1A1
SCHEMBL189959 0.71 PIK3CA (0.68) PIK3CAPIK3CBMTORPIK3R1
SCHEMBL1859279 0.70 PIK3CA (0.53) PIK3CAPIK3CBMTORPIK3R1
SCHEMBL1857639 0.70 PIK3CA (0.50) PIK3CAPIK3CBMTORPIK3R1
SCHEMBL4434053 0.70 PIK3CA (0.50) PIK3CAPIK3CBSMN1; SMN2MTORKDM4E

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9487533-B2 Phosphoinositide 3-kinase inhibitor compounds and methods of use GENENTECH, INC. (US) 2016-11-08 US disclosed
EP-2114950-B1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2016-03-09 EP disclosed
EP-2114950-A2 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE Genentech, Inc. (US) 2009-11-11 EP disclosed
US-20080269210-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2008-10-30 US disclosed
WO-2008073785-A2 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2008-06-19 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 (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-20080269210-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, AKT3, PI4KA PIK3CA 1/4885PIK3CB 15/4885SMN1; SMN2 1323/4885

“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.