SCHEMBL870532

SCHEMBL870532

CN(C)Cc1cc(O)ccc1-c1cccc(-n2c(=O)n(C3CCC(N(C(=O)O)C(C)(C)C)CC3)c(=O)c3cc(F)cnc32)c1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 11/20 0.38
TNF P01375 5/20 0.31
LITAF Q99732 5/20 0.31
PDE4D Q08499 1/20 0.31
SSTR2 P30874 2/20 0.31
PIK3CA P42336 2/20 0.31
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
KCNH2 Q12809 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
SCHEMBL870531 1.00 PDE4B (0.38) PDE4BTNFLITAFPDE4DSSTR2
SCHEMBL872002 0.93 METAP2 (0.36) PDE4BTNFLITAFPDE4DCYP3A4
SCHEMBL872001 0.93 METAP2 (0.36) PDE4BTNFLITAFPDE4DCYP3A4
SCHEMBL872270 0.89 PDE4B (0.42) PDE4BPDE4DCYP3A4CYP2C9CYP2C19
SCHEMBL872271 0.89 PDE4B (0.42) PDE4BPDE4DCYP3A4CYP2C9CYP2C19
SCHEMBL871084 0.88 TNF (0.32) PDE4BTNFLITAFPDE4DPIK3CA
SCHEMBL871083 0.88 TNF (0.32) PDE4BTNFLITAFPDE4DPIK3CA
SCHEMBL872979 0.88 PDE4B (0.35) PDE4BTNFLITAFPDE4DKCNH2
SCHEMBL872980 0.88 PDE4B (0.35) PDE4BTNFLITAFPDE4DKCNH2
SCHEMBL870772 0.87 PDE4B (0.40) PDE4BTNFLITAFSSTR2PIK3CA

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 PDE4B 2/4885TNF 1585/4885LITAF 2742/4885

“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.