SCHEMBL4325923

SCHEMBL4325923

Cc1ccc2c(c1)C(=O)/C(=C/c1c(-c3ccccc3)[nH]c3ccccc13)S2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.42
PIK3CA P42336 1/20 0.42
MTOR P42345 1/20 0.42
PIK3CG P48736 1/20 0.42
HPGD P15428 5/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
SMN1; SMN2 Q16637 5/20 0.39
RAB9A P51151 5/20 0.39
MAPT P10636 5/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
GFER P55789 1/20 0.39
NPC1 O15118 4/20 0.39
POLB P06746 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.38

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
SCHEMBL1429523 1.00 PTGS2 (0.42) PTGS2PIK3CAMTORPIK3CGHPGD
SCHEMBL1429008 0.92 PIK3CA (0.46) PTGS2PIK3CAMTORPIK3CGHPGD
SCHEMBL4330037 0.92 PIK3CA (0.46) PTGS2PIK3CAMTORPIK3CGHPGD
SCHEMBL1428872 0.92 PIK3CA (0.46) PTGS2PIK3CAMTORPIK3CGHPGD
SCHEMBL4322716 0.92 PIK3CA (0.46) PTGS2PIK3CAMTORPIK3CGHPGD
SCHEMBL1429014 0.89 PIK3CA (0.46) PTGS2PIK3CAMTORPIK3CGHPGD
SCHEMBL4322738 0.89 PIK3CA (0.46) PTGS2PIK3CAMTORPIK3CGHPGD
SCHEMBL1428478 0.87 PIK3CA (0.44) PTGS2PIK3CAMTORPIK3CGHPGD
SCHEMBL4320531 0.87 PIK3CA (0.44) PTGS2PIK3CAMTORPIK3CGHPGD
SCHEMBL1428673 0.86 MAPT (0.46) PTGS2PIK3CAMTORPIK3CGHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090311217-A1 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-12-17 US claimed
US-20090311217-A1 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-12-17 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 (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-20090311217-A1 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES MTOR, RICTOR, PDPK1 PTGS2 2286/4885PIK3CA 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.