Sugi Predict

Sugi Predict / Compounds / SCHEMBL10271672

SCHEMBL10271672

SCHEMBL10271672

CC(C)(C)OC(=O)N[C@H]1CC[C@@H](n2c(=O)c3cc(F)cnc3n(-c3cccc(-c4cc(O)ccc4C=O)c3)c2=O)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 7/20 0.36
▸ LITAF Q99732 7/20 0.36
▸ PIK3CA P42336 1/20 0.35
▸ MTOR P42345 1/20 0.35
▸ PRKDC P78527 1/20 0.35
▸ JAK1 P23458 5/20 0.35
▸ JAK2 O60674 2/20 0.35
▸ OPRM1 P35372 1/20 0.34
▸ OPRD1 P41143 1/20 0.34
▸ OPRK1 P41145 1/20 0.34
▸ OGFRL1 Q5TC84 1/20 0.34
▸ CKS1B P61024 1/20 0.34
▸ SKP1 P63208 1/20 0.34
▸ SKP2 Q13309 1/20 0.34
▸ CCRL2 O00421 1/20 0.34
▸ ALOX5AP P20292 1/20 0.33
▸ FEN1 P39748 1/20 0.33
▸ PDE4B Q07343 3/20 0.33
▸ PDE4D Q08499 2/20 0.33
▸ PLK1 P53350 1/20 0.33

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
SCHEMBL8178273 0.95 PIK3CA (0.35) TNFLITAFPIK3CAMTORPRKDC
SCHEMBL3026847 0.90 PDE4B (0.34) TNFLITAFPIK3CAPDE4BPDE4D
SCHEMBL3026844 0.90 PDE4B (0.34) TNFLITAFPIK3CAPDE4BPDE4D
SCHEMBL10271512 0.87 JAK1 (0.37) TNFLITAFPIK3CAMTORPRKDC
SCHEMBL10271899 0.87 PDE4B (0.45) TNFLITAFPIK3CAMTORPRKDC
SCHEMBL870811 0.87 CKS1B (0.42) TNFLITAFPIK3CAMTORPRKDC
SCHEMBL10221633 0.87 CKS1B (0.42) TNFLITAFPIK3CAMTORPRKDC
SCHEMBL8168457 0.87 CKS1B (0.42) TNFLITAFPIK3CAMTORPRKDC
SCHEMBL10271505 0.86 PIK3CA (0.40) TNFLITAFPIK3CAMTORPRKDC
SCHEMBL8176241 0.86 PIK3CA (0.40) TNFLITAFPIK3CAMTORPRKDC

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-20120077801-A1 Chemical Compounds 637 ALCON RESEARCH, LTD. 2012-03-29 — — US disclosed
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors ALCON RESEARCH, LTD. 2010-08-12 — — US disclosed
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors ALCON RESEARCH, LTD. 2010-08-12 — — US disclosed
US-20090124596-A1 Chemical Compounds 637 ALCON RESEARCH, LTD. 2009-05-14 — — US disclosed
US-20090124596-A1 Chemical Compounds 637 ALCON RESEARCH, LTD. 2009-05-14 — — 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 (3 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-20120077801-A1 Chemical Compounds 637 PDE4A, PDE4B, PDE3B TNF 1585/4885LITAF 2742/4885PIK3CA 859/4885
US-20090124596-A1 Chemical Compounds 637 PDE4A, PDE4B, PDE3B TNF 1585/4885LITAF 2742/4885PIK3CA 859/4885
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors PDE4A, PDE4B, PDE5A TNF 2973/4885LITAF 4447/4885PIK3CA 273/4885

“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.