SCHEMBL3067372

SCHEMBL3067372

O=C(O)CC(O)c1cccnc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.55
TBXAS1 P24557 1/20 0.51
NAPRT Q6XQN6 1/20 0.49
CFTR P13569 1/20 0.48
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
SLC6A3 Q01959 1/20 0.48
GOPC Q9HD26 1/20 0.48
ITGB3 P05106 8/20 0.48
ITGAV P06756 8/20 0.48
LMNA P02545 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ITGA2B P08514 4/20 0.47
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.47
KDM4E B2RXH2 1/20 0.46
ADRB1 P08588 1/20 0.46
ADRB3 P13945 1/20 0.46
CTSA P10619 1/20 0.46
GRM8 O00222 1/20 0.46

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
SCHEMBL4459275 1.00 SMN1; SMN2 (0.55) SMN1; SMN2TBXAS1NAPRTCFTRSLC6A2
SCHEMBL17183618 0.87 SMN1; SMN2 (0.52) SMN1; SMN2TBXAS1NAPRTCFTRSLC6A2
SCHEMBL27956700 0.84 L3MBTL1 (0.49) SMN1; SMN2TBXAS1CFTRSLC6A2SLC6A4
SCHEMBL5856512 0.84 TBXAS1 (0.53) SMN1; SMN2TBXAS1NAPRTCFTRSLC6A2
SCHEMBL27965757 0.83 TBXAS1 (0.60) SMN1; SMN2TBXAS1NAPRTCFTRSLC6A2
SCHEMBL30082780 0.83 TBXAS1 (0.60) SMN1; SMN2TBXAS1NAPRTCFTRSLC6A2
SCHEMBL27965558 0.83 TBXAS1 (0.60) SMN1; SMN2TBXAS1NAPRTCFTRSLC6A2
SCHEMBL2638943 0.83 TBXAS1 (0.60) SMN1; SMN2TBXAS1NAPRTCFTRSLC6A2
SCHEMBL11990053 0.82 TBXAS1 (0.63) SMN1; SMN2TBXAS1NAPRTCFTRSLC6A2
SCHEMBL2570051 0.81 TBXAS1 (0.67) SMN1; SMN2TBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1405917-B1 Process for the production of 3-Heteroaryl-3-hydroxy-propionic acid derivatives by enantioselective microbial reduction SALTIGO GMBH (DE) 2013-08-14 EP claimed
CN-101909451-A Fungicidal mixtures II BASF SE 2010-12-08 CN disclosed
US-20100267555-A1 Fungicidal mixtures II BASF SE (DE) 2010-10-21 US disclosed
US-20100267555-A1 Fungicidal mixtures II BASF SE (DE) 2010-10-21 US disclosed
EP-2222169-A2 FUNGICIDAL MIXTURES II BASF SE (DE) 2010-09-01 EP disclosed
EP-2222169-A2 FUNGICIDAL MIXTURES II BASF SE (DE) 2010-09-01 EP disclosed
WO-2009063075-A3 FUNGICIDAL MIXTURES II BASF SE (DE) 2010-05-06 WO disclosed
US-7553970-B2 Process for preparing 3-heteroaryl-3-hydroxypropanoic acid derivatives LANXESS DEUTSCHLAND GMBH (DE) 2009-06-30 US disclosed
WO-2009063075-A2 FUNGICIDAL MIXTURES II BASF SE (DE) 2009-05-22 WO disclosed
WO-2009063075-A2 FUNGICIDAL MIXTURES II BASF SE (DE) 2009-05-22 WO disclosed
WO-2005123727-A1 3-ARYL-3-HYDROXY- AND 3-ARYL-3-OXOPROPIONIC ACID ESTERS AS FUNGICIDES CROPSOLUTION, INC. (US) 2005-12-29 WO disclosed
US-20050277663-A1 3-Aryl-3-hydroxy-and 3-aryl-3-oxopropionic acid esters as fungicides ATP CAPITAL LP 2005-12-15 US disclosed
US-20040181058-A1 Process for preparing 3-heteroaryl-3-hydroxypropanoic acid derivatives LANXESS DEUTSCHLAND GMBH (DE) 2004-09-16 US 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 (3 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-20050277663-A1 3-Aryl-3-hydroxy-and 3-aryl-3-oxopropionic acid esters as fungicides CYP21A2, HAO1, AHR SMN1; SMN2 2798/4885TBXAS1 3684/4885NAPRT 2922/4885
US-20040181058-A1 Process for preparing 3-heteroaryl-3-hydroxypropanoic acid derivatives HPD, HAAO, GRHPR SMN1; SMN2 4276/4885TBXAS1 796/4885NAPRT 1270/4885
US-20100267555-A1 Fungicidal mixtures II CBR3, CBR1, NOX3 SMN1; SMN2 3685/4885TBXAS1 780/4885NAPRT 2488/4885

“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.