SCHEMBL2080386

SCHEMBL2080386

COC(=O)[C@H]1[C@H](C(=O)OC)[C@@H](C(=O)OC)[C@H](C(=O)OC)[C@@H](C(=O)OC)[C@@H]1C(=O)OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.50
PPM1B O75688 1/20 0.46
PTPN1 P18031 1/20 0.46
PPP1CC P36873 1/20 0.46
ALDH1A1 P00352 1/20 0.44
POLB P06746 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.39
CHRNB2 P17787 2/20 0.39
CHRNA4 P43681 2/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA7 P36544 1/20 0.39
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
HCAR2 Q8TDS4 1/20 0.37
TSHR P16473 1/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
BRD4 O60885 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL20075282 1.00 CYP2C19 (0.50) CYP2C19PPM1BPTPN1PPP1CCALDH1A1
SCHEMBL8919476 1.00 CYP2C19 (0.50) CYP2C19PPM1BPTPN1PPP1CCALDH1A1
SCHEMBL13139972 1.00 CYP2C19 (0.50) CYP2C19PPM1BPTPN1PPP1CCALDH1A1
SCHEMBL2081942 1.00 CYP2C19 (0.50) CYP2C19PPM1BPTPN1PPP1CCALDH1A1
SCHEMBL5490936 0.87 PPM1B (0.56) CYP2C19PPM1BPTPN1PPP1CCALDH1A1
SCHEMBL257600 0.87 PPM1B (0.56) CYP2C19PPM1BPTPN1PPP1CCALDH1A1
SCHEMBL8917467 0.87 PPM1B (0.56) CYP2C19PPM1BPTPN1PPP1CCALDH1A1
SCHEMBL4036804 0.87 PPM1B (0.56) CYP2C19PPM1BPTPN1PPP1CCALDH1A1
SCHEMBL11788035 0.86 CYP2C19 (0.46) CYP2C19PPM1BPTPN1PPP1CCALDH1A1
SCHEMBL2132206 0.85 CYP2C19 (0.41) CYP2C19PPM1BPTPN1PPP1CCPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7906659-B2 Carbocyclic and oxacarbocyclic fumaric acid oligomers BIOGEN IDEC INTERNATIONAL GMBH (CH) 2011-03-15 US disclosed
US-20100316706-A1 CARBOCYCLIC AND OXACARBOCYCLIC FUMARIC ACID OLIGOMERS BIOGEN INTERNATIONAL GMBH (CH) 2010-12-16 US disclosed
US-7790916-B2 Carbocyclic and oxacarbocyclic fumaric acid oligomers BIOGEN IDEC INTERNATIONAL GMBH (CH) 2010-09-07 US disclosed
US-7790916-B2 Carbocyclic and oxacarbocyclic fumaric acid oligomers BIOGEN IDEC INTERNATIONAL GMBH (CH) 2010-09-07 US disclosed
EP-1671965-A2 Oxacarbocyclic oligomers of fumaric acid Fumapharm AG (CH) 2006-06-21 EP disclosed
US-20050148664-A1 Carbocyclic and oxacarbocyclic fumaric acid oligomers BIOGEN INTERNATIONAL GMBH (CH) 2005-07-07 US disclosed
EP-1494992-A2 CARBOCYCLIC AND OXACARBOCYCLIC FUMARIC ACID OLIGOMERS Fumapharm AG (CH) 2005-01-12 EP disclosed
WO-2003087174-A2 CARBOCYCLIC AND OXACARBOCYCLIC FUMARIC ACID OLIGOMERS FUMAPHARM AG (CH) 2003-10-23 WO 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 (2 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-20050148664-A1 Carbocyclic and oxacarbocyclic fumaric acid oligomers FAH, OTC, MCCC2 CYP2C19 789/4885PPM1B 2005/4885PTPN1 4300/4885
US-20100316706-A1 CARBOCYCLIC AND OXACARBOCYCLIC FUMARIC ACID OLIGOMERS FAH, OTC, MCCC2 CYP2C19 789/4885PPM1B 2005/4885PTPN1 4300/4885

“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.