SCHEMBL869678

SCHEMBL869678

Cc1ccccc1-c1cccc(-n2c(=O)n([C@H]3CC[C@@H](N(C(=O)O)C(C)(C)C)CC3)c(=O)c3cc(F)cnc32)c1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.34
TNF P01375 7/20 0.32
LITAF Q99732 7/20 0.32
PDE4B Q07343 2/20 0.32
PDE4D Q08499 2/20 0.32
NFE2L2 Q16236 1/20 0.32
GRIN1 Q05586 4/20 0.32
GRIN2B Q13224 4/20 0.32
GRM1 Q13255 1/20 0.31
MTOR P42345 1/20 0.31
TSHR P16473 1/20 0.31
CYP1A2 P05177 2/20 0.30
CYP3A4 P08684 2/20 0.30
TACR1 P25103 2/20 0.30
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP2C9 P11712 1/20 0.30
MAPK1 P28482 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
SCHEMBL869679 1.00 MGLL (0.34) MGLLTNFLITAFPDE4BPDE4D
SCHEMBL871464 0.92 TNF (0.34) TNFLITAFPDE4BPDE4DGRM1
SCHEMBL871465 0.92 TNF (0.34) TNFLITAFPDE4BPDE4DGRM1
SCHEMBL870835 0.89 TNF (0.33) TNFLITAFPDE4BPDE4DGRM1
SCHEMBL870836 0.89 TNF (0.33) TNFLITAFPDE4BPDE4DGRM1
SCHEMBL872002 0.89 METAP2 (0.36) TNFLITAFPDE4BPDE4DNFE2L2
SCHEMBL872001 0.89 METAP2 (0.36) TNFLITAFPDE4BPDE4DNFE2L2
SCHEMBL870234 0.88 PDK1 (0.35) TNFLITAFPDE4BPDE4DNFE2L2
SCHEMBL870233 0.88 PDK1 (0.35) TNFLITAFPDE4BPDE4DNFE2L2
SCHEMBL870556 0.86 ABCB1 (0.35) TNFLITAFPDE4BPDE4DGRM1

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 MGLL 3020/4885TNF 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.