SCHEMBL3299204

SCHEMBL3299204

CC(C)(C)Oc1ncc(OB(O)O)c(OC(C)(C)C)n1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.54
NPSR1 Q6W5P4 2/20 0.45
ATM Q13315 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL3817278 0.83 GAA (0.65) GAANPSR1ATMMEN1KMT2A
SCHEMBL561353 0.78 GAA (0.59) GAANPSR1ATMMEN1KMT2A
Water SCHEMBL3423431 0.77 GAA (0.57) GAANPSR1ATMMEN1KMT2A
SCHEMBL896346 0.77 GAA (0.57) GAANPSR1ATMMEN1KMT2A
Water SCHEMBL3423432 0.75 GAA (0.56) GAANPSR1ATMMEN1KMT2A
SCHEMBL25392565 0.75 KMT2A (0.37) NPSR1ATMKMT2A
SCHEMBL14586465 0.72 GAA (0.65) GAANPSR1ATMMEN1KMT2A
SCHEMBL13049649 0.72 GAA (0.65) GAANPSR1ATMMEN1KMT2A
SCHEMBL896479 0.70 GAA (1.00) GAANPSR1ATMMEN1KMT2A
SCHEMBL18380993 0.70 GAA (0.62) GAANPSR1ATMMEN1KMT2A

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
CN-119384415-A CD73 compounds 吉利德科学公司 2025-01-28 CN disclosed
EP-1582250-B1 Absorbent with improved oxidation resistance and process for deacidifying fluid fluxes BASF SE (DE) 2013-05-15 EP disclosed
EP-2121600-B1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INT (DE) 2012-07-18 EP disclosed
US-20100093703-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 US disclosed
US-7666813-B2 an aliphatic amine, in particular an alkanolamine, and a non-hydroquinoid antioxidant for removal of CO2, H2S, SO2, CS2, HCN, COS, disulfides or mercaptans as impurities in reaction gases formed in the oxidation of organic materials to prevent the emission of above gases BASF AKTIENGESELLSCHAFT (DE) 2010-02-23 US disclosed
EP-1582250-A2 Absorbent with improved ocidation resistance and process for deacidifying fluid fluxes BASF AKTIENGESELLSCHAFT (DE) 2005-10-05 EP disclosed
US-20050202967-A1 an aliphatic amine, in particular an alkanolamine, and a non-hydroquinoid antioxidant for removal of CO2, H2S, SO2, CS2, HCN, COS, disulfides or mercaptans as impurities in reaction gases formed in the oxidation of organic materials to prevent the emission of above gases BASF AKTIENGESELLSCHAFT (DE) 2005-09-15 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 (1 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-20100093703-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS PYGL, PYGM, G6PC1 GAA 67/4885NPSR1 1633/4885ATM 2439/4885

“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.