SCHEMBL870679

SCHEMBL870679

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

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TNF P01375 8/20 0.33
LITAF Q99732 8/20 0.33
PDE4B Q07343 1/20 0.33
PDE4D Q08499 1/20 0.33
PIK3CA P42336 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
SCHEMBL870680 1.00 TNF (0.33) TNFLITAFPDE4BPDE4DPIK3CA
SCHEMBL871084 0.94 TNF (0.32) TNFLITAFPDE4BPDE4DPIK3CA
SCHEMBL871083 0.94 TNF (0.32) TNFLITAFPDE4BPDE4DPIK3CA
SCHEMBL870532 0.87 PDE4B (0.38) TNFLITAFPDE4BPDE4DPIK3CA
SCHEMBL870531 0.87 PDE4B (0.38) TNFLITAFPDE4BPDE4DPIK3CA
SCHEMBL871465 0.87 TNF (0.34) TNFLITAFPDE4BPDE4D
SCHEMBL871464 0.87 TNF (0.34) TNFLITAFPDE4BPDE4D
SCHEMBL870540 0.87 TNF (0.32) TNFLITAFPDE4BPDE4D
SCHEMBL870539 0.87 TNF (0.32) TNFLITAFPDE4BPDE4D
SCHEMBL16087349 0.86 PIK3CA (0.33) TNFLITAFPDE4BPDE4DPIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120077801-A1 Chemical Compounds 637 ALCON RESEARCH, LTD. 2012-03-29 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-20120077801-A1 Chemical Compounds 637 PDE4A, PDE4B, PDE3B TNF 1585/4885LITAF 2742/4885PDE4B 2/4885

“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.