SCHEMBL4713869

SCHEMBL4713869

NC(C(=O)O)C(O)C(O)CC(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.56
SLCO1B1 Q9Y6L6 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.44
SLC22A6 Q4U2R8 1/20 0.42
GABRR1 P24046 2/20 0.41
LMNA P02545 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
SLC7A5 Q01650 1/20 0.39
SLC1A3 P43003 2/20 0.34
SLC1A2 P43004 2/20 0.34
SLC1A1 P43005 2/20 0.34
GRM8 O00222 1/20 0.34
GRM6 O15303 1/20 0.34
GRIN2D O15399 1/20 0.34
GRIN3B O60391 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
SCHEMBL31527767 0.85 USP2 (0.48) USP2SLCO1B1SMN1; SMN2SLC22A6GABRR1
SCHEMBL300199 0.85 USP2 (0.48) USP2SLCO1B1SMN1; SMN2SLC22A6GABRR1
SCHEMBL300200 0.85 USP2 (0.48) USP2SLCO1B1SMN1; SMN2SLC22A6GABRR1
SCHEMBL28410409 0.85 USP2 (0.48) USP2SLCO1B1SMN1; SMN2SLC22A6GABRR1
SCHEMBL13497176 0.85 USP2 (0.48) USP2SLCO1B1SMN1; SMN2SLC22A6GABRR1
Ethane SCHEMBL10712982 0.81 USP2 (0.45) USP2SLCO1B1SMN1; SMN2SLC22A6GABRR1
SCHEMBL31154516 0.79 SLC22A6 (0.59) USP2SLCO1B1SMN1; SMN2SLC22A6GABRR1
SCHEMBL1032574 0.79 SLC22A6 (0.56) USP2SLCO1B1SMN1; SMN2SLC22A6GABRR1
SCHEMBL26138078 0.79 SLC22A6 (0.56) SMN1; SMN2SLC22A6GABRR1LMNATDP1
SCHEMBL6431831 0.78 USP2 (0.58) USP2SLCO1B1GABRR1LMNASLC7A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1615904-B1 SUBSTITUTED BENZOSULPHONAMIDES AS POTENTIATORS OF GLUTAMATE RECEPTORS ASTRAZENECA AB (SE) 2008-02-27 EP claimed
EP-1537089-A4 COMPOUNDS COMPOSITIONS AND METHODS CYTOKINETICS INC (US) 2008-04-16 EP disclosed
US-20080021050-A1 Compounds, compositions, and methods CYTOKINETICS, INC. 2008-01-24 US disclosed
US-7211580-B2 Compounds, compositions, and methods CYTOKINETICS, INCORPORATED (US) 2007-05-01 US disclosed
EP-1537089-A2 COMPOUNDS COMPOSITIONS AND METHODS Cytokinetics, Inc. (US) 2005-06-08 EP disclosed
US-20040142949-A1 Compounds, compositions, and methods CYTOKINETICS, INC. 2004-07-22 US disclosed
WO-2004009036-A2 COMPOUNDS COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2004-01-29 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-20080021050-A1 Compounds, compositions, and methods ALPP, PCNA, MKI67 USP2 3898/4885SLCO1B1 4379/4885SMN1; SMN2 1777/4885
US-20040142949-A1 Compounds, compositions, and methods ALPP, PCNA, MKI67 USP2 3898/4885SLCO1B1 4379/4885SMN1; SMN2 1777/4885

“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.