SCHEMBL4551242

SCHEMBL4551242

CCN(O)C(CC(=O)O)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.37
SLC22A6 Q4U2R8 1/20 0.35
FFAR3 O14843 1/20 0.33
GPR84 Q9NQS5 4/20 0.32
FOLH1 Q04609 2/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAPT P10636 1/20 0.31
CHRM1 P11229 1/20 0.31
AKR1A1 P14550 1/20 0.31
CHRM3 P20309 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
ADRA1A P35348 1/20 0.31
HRH1 P35367 1/20 0.31
DRD3 P35462 1/20 0.31
SLC6A3 Q01959 1/20 0.31
HDAC1 Q13547 1/20 0.31

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
SCHEMBL8407151 1.00 TDP1 (0.39) TDP1SMN1; SMN2SLC22A6FFAR3GPR84
SCHEMBL5596062 0.83 ECE1 (0.31)
SCHEMBL27670709 0.83 ECE1 (0.31)
SCHEMBL3728136 0.81 CHRM1 (0.33) TDP1FFAR3CHRM1AKR1A1CHRM3
SCHEMBL11269612 0.79 TDP1 (0.40) TDP1SMN1; SMN2SLC22A6FFAR3GPR84
SCHEMBL1172848 0.79 TDP1 (0.40) TDP1SMN1; SMN2SLC22A6FFAR3GPR84
SCHEMBL13100502 0.79 TDP1 (0.40) TDP1SMN1; SMN2SLC22A6FFAR3GPR84
SCHEMBL7701636 0.78 CYP1A2 (0.45) FFAR3FOLH1HDAC1HDAC2
SCHEMBL4655463 0.78 CYP1A2 (0.45) FFAR3FOLH1HDAC1HDAC2
Hydrochloric Acid SCHEMBL3425583 0.77 TDP1 (0.39) TDP1SMN1; SMN2SLC22A6FFAR3GPR84

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-20090221471-A1 PRODRUGS OF VANCOMYCIN WITH HYDROLYSIS RESISTANT POLYMER LINKAGES ENZON PHARMACEUTICALS, INC. (US) 2009-09-03 US disclosed
US-7462687-B2 Prodrugs of vancomycin with hydrolysis resistant polymer linkages ENZON PHARMACEUTICALS, INC. (US) 2008-12-09 US disclosed
US-20040142858-A1 Prodrugs of vancomycin with hydrolysis resistant polymer linkages BELROSE PHARMA INC. 2004-07-22 US disclosed
WO-2004044223-A2 PRODRUGS OF VANCOMYCIN WITH HYDROLYSIS RESISTANT POLYMER LINKERS ENZON PHARMACEUTICALS, INC. (US) 2004-05-27 WO disclosed
EP-0770057-B1 METHOD FOR PRODUCING CALCIUM SALTS OF [S,S]-ETHYLENEDIAMINE-N,N'-DISUCCINIC ACID ALBEMARLE CORP (US) 1999-07-14 EP disclosed
EP-0770057-A1 METHOD FOR PRODUCING CALCIUM SALTS OF [S,S]-ETHYLENEDIAMINE-N,N'-DISUCCINIC ACID ALBEMARLE CORPORATION (US) 1997-05-02 EP disclosed
US-5550285-A Method for producing calcium salts of [S,S]-ethylenediamine-N,N'-disuccinic acid ALBEMARLE CORPORATION 1996-08-27 US disclosed
WO-1996001804-A1 METHOD FOR PRODUCING CALCIUM SALTS OF [S,S]-ETHYLENEDIAMINE-N,N'-DISUCCINIC ACID ALBEMARLE CORPORATION (US) 1996-01-25 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-20040142858-A1 Prodrugs of vancomycin with hydrolysis resistant polymer linkages SI, DNPEP, PEPD TDP1 1472/4885SMN1; SMN2 3619/4885SLC22A6 1602/4885
US-20090221471-A1 PRODRUGS OF VANCOMYCIN WITH HYDROLYSIS RESISTANT POLYMER LINKAGES SI, DNPEP, PEPD TDP1 1472/4885SMN1; SMN2 3619/4885SLC22A6 1602/4885

“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.