SCHEMBL6444629

SCHEMBL6444629

CCC(=O)N(CC(=O)O)CC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 2/20 0.47
TDP1 Q9NUW8 4/20 0.39
EYA2 O00167 1/20 0.39
APP P05067 1/20 0.39
ACE P12821 1/20 0.39
LMNA P02545 2/20 0.38
TSHR P16473 2/20 0.38
BLM P54132 2/20 0.38
PMP22 Q01453 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CHRM2 P08172 1/20 0.38
ADRA2A P08913 1/20 0.38
ALOX15 P16050 1/20 0.38
DRD1 P21728 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
CYP2C19 P33261 1/20 0.38
ADRA1A P35348 1/20 0.38
DRD3 P35462 1/20 0.38
SLC6A3 Q01959 1/20 0.38

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
SCHEMBL8602002 0.97 FFAR3 (0.45) FFAR3TDP1EYA2APPACE
SCHEMBL16264142 0.91 TDP1 (0.39) FFAR3TDP1EYA2APPACE
SCHEMBL5080836 0.85 CA12 (0.43) FFAR3TDP1EYA2APPACE
SCHEMBL12527092 0.82 FFAR3 (0.36) FFAR3TDP1EYA2APPACE
SCHEMBL17816490 0.82 FFAR3 (0.36) FFAR3TDP1EYA2APPACE
SCHEMBL16330708 0.80 ALDH1A1 (0.49) FFAR3TDP1EYA2APPACE
SCHEMBL16264141 0.80 LMNA (0.39) FFAR3TDP1EYA2APPACE
SCHEMBL265251 0.79 FFAR3 (0.50) FFAR3TDP1APPLMNATSHR
SCHEMBL16172025 0.78 TDP1 (0.39) FFAR3TDP1EYA2APPACE
SCHEMBL10042458 0.78 ALDH1A1 (0.47) FFAR3TDP1LMNAALDH1A1SOAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130018010-A1 POLYMERIC CONJUGATES OF ADENINE NUCLEOSIDE ANALOGS ENZON PHARMACEUTICALS, INC. (US) 2013-01-17 US disclosed
US-20120115796-A1 Novel Spacer Moiety for Poly(ehtylene Glycol) Modified Peptide Based Compounds AFFYMAX, INC. (US) 2012-05-10 US disclosed
US-20070203066-A1 Compositions and methods for inhibiting cellular proliferation ENTREMED, INC. 2007-08-30 US disclosed
US-20050130941-A1 Methods of treating alzheimer's disease PHARMACIA & UPJOHN COMPANY LLC 2005-06-16 US disclosed
EP-0941120-A4 BRANCHED PEPTIDE LINKERS BRISTOL MYERS SQUIBB CO (US) 2004-08-18 EP disclosed
EP-0941120-A1 BRANCHED PEPTIDE LINKERS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-09-15 EP disclosed
US-5753652-A Antiretroviral hydrazine derivatives NOVARTIS CORPORATION (US) 1998-05-19 US disclosed
WO-1998019705-A1 BRANCHED PEPTIDE LINKERS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-05-14 WO disclosed
EP-0521827-B1 Pharmacological active hydrazin derivatives and process for their preparation CIBA GEIGY AG (CH) 1996-09-25 EP disclosed
CN-1097417-A New heterogeneous ring compound FUJISAWA PHARMACEUTICAL CO (JP) 1995-01-18 CN disclosed
EP-0521827-A1 Pharmacological active hydrazin derivatives and process for their preparation CIBA-GEIGY AG (CH) 1993-01-07 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 (4 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-20050130941-A1 Methods of treating alzheimer's disease BACE1, PSEN1, BACE2 FFAR3 4528/4885TDP1 758/4885EYA2 3559/4885
US-20130018010-A1 POLYMERIC CONJUGATES OF ADENINE NUCLEOSIDE ANALOGS VEGFA, MKI67, PCNA FFAR3 3652/4885TDP1 1879/4885EYA2 3274/4885
US-20120115796-A1 Novel Spacer Moiety for Poly(ehtylene Glycol) Modified Peptide Based Compounds NGLY1, HM13, YWHAZ FFAR3 3823/4885TDP1 4525/4885EYA2 3000/4885
US-20070203066-A1 Compositions and methods for inhibiting cellular proliferation MKI67, VEGFA, HDGF FFAR3 4297/4885TDP1 4402/4885EYA2 1205/4885

“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.