SCHEMBL4670229

SCHEMBL4670229

CCCCCCCCCCCc1csc(-c2ccc(CN(CC(=O)O)Cc3ccc(C(F)(F)F)cc3)cc2)n1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 12/20 0.49
LMNA P02545 7/20 0.49
PPARG P37231 1/20 0.47
PPARA Q07869 1/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 3/20 0.46
KDM4E B2RXH2 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALOX5 P09917 1/20 0.44
PSEN1 P49768 1/20 0.44
HTT P42858 1/20 0.44
ATP4A P20648 1/20 0.43
ATP4B P51164 1/20 0.43

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
SCHEMBL1854166 0.86 TP53 (0.49) TP53LMNAPPARGPPARAPOLB
SCHEMBL4320498 0.81 TP53 (0.47) TP53LMNAPPARGPPARAPOLB
SCHEMBL4320499 0.81 TP53 (0.44) TP53LMNAPOLBMAPTKDM4E
SCHEMBL4322789 0.79 TP53 (0.51) TP53LMNAPOLBMAPTKDM4E
SCHEMBL4669852 0.78 HDAC8 (0.58)
SCHEMBL4671678 0.78 SPHK1 (0.45) PPARGPPARAMAPTKDM4ESMN1; SMN2
SCHEMBL5045025 0.78 TP53 (0.47) TP53LMNAPOLBMAPTKDM4E
SCHEMBL6800716 0.76 TP53 (0.46) TP53LMNAPPARGPPARAPOLB
SCHEMBL6804927 0.76 TP53 (0.46) TP53LMNAPOLBMAPTKDM4E
SCHEMBL4670156 0.75 PTPN11 (0.45)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080207722-A1 Glepp-1 Inhibitors in the Treatment of Autoimmune and/or Inflammatory Disorders LABORATORIES SERONO SA (CH) 2008-08-28 US claimed
US-20080207722-A1 Glepp-1 Inhibitors in the Treatment of Autoimmune and/or Inflammatory Disorders LABORATORIES SERONO SA (CH) 2008-08-28 US disclosed
EP-1732534-B1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS SERONO LAB (CH) 2008-07-23 EP 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-20080207722-A1 Glepp-1 Inhibitors in the Treatment of Autoimmune and/or Inflammatory Disorders PPP1R1B, PPP5C, PPP3CA TP53 3050/4885LMNA 4710/4885PPARG 2934/4885

“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.