SCHEMBL4358478

SCHEMBL4358478

CC(C)(C)OC(=O)n1nnnc1N

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.59
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.34
ATM Q13315 1/20 0.34
ELANE P08246 1/20 0.33
NR1H2 P55055 1/20 0.33
USP2 O75604 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP1A2 P05177 1/20 0.32
SMARCA2 P51531 1/20 0.32
SMARCA4 P51532 1/20 0.32
PBRM1 Q86U86 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
BCHE P06276 1/20 0.32
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 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
SCHEMBL6581440 0.77 FAAH (0.58) FAAHMAPTHTTATMELANE
SCHEMBL14994169 0.75 FAAH (1.00) FAAHMAPTHTTATMELANE
SCHEMBL26803354 0.72
SCHEMBL29196133 0.68 FAAH (0.41) FAAHMAPTHTTATMNR1H2
SCHEMBL1864917 0.67 FAAH (0.40) FAAHELANENR1H2USP2SMN1; SMN2
SCHEMBL5873836 0.66 NR1H2 (0.43) FAAHNR1H2SMARCA2SMARCA4PBRM1
SCHEMBL18063082 0.66 NR1H2 (0.43) FAAHMAPTNR1H2SMARCA2SMARCA4
SCHEMBL25519814 0.66 FAAH (0.39) FAAHELANENR1H2SMARCA2SMARCA4
SCHEMBL18284944 0.66 FAAH (0.39) FAAHELANENR1H2SMARCA2SMARCA4
SCHEMBL25293645 0.66 ELANE (0.43) FAAHHTTATMELANENR1H2

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
US-20090155862-A1 Process for the preparation of 2-hydroxymethyl-pyrrolidine-3,4-diols LONZA AG (CH) 2009-06-18 US disclosed
EP-1379676-B1 PROCESS FOR THE PREPARATION OF 2-HYDROXYMETHYL-PYROLIDINE-3,4-DIOLS LONZA AG (CH) 2006-05-24 EP disclosed
US-20040185539-A1 Process for the preparation of 2-hydroxymethyl-pyrolidine 3, 4-diols LONZA AG (CH) 2004-09-23 US disclosed
EP-1379676-A2 PROCESS FOR THE PREPARATION OF 2-HYDROXYMETHYL-PYROLIDINE-3,4-DIOLS LONZA AG (CH) 2004-01-14 EP disclosed
US-6576780-B1 Hydroxyamidino derivatives useful as nitric oxide synthase inhibitors GD SEARLE & COMPANY 2003-06-10 US disclosed
WO-2002074737-A2 PROCESS FOR THE PREPARATION OF 2-HYDROXYMETHYL-PYROLIDINE-3,4-DIOLS LONZA AG (CH) 2002-09-26 WO disclosed
US-6207708-B1 FOR THERAPY AND PROPHYLAXIS OF AUTOIMMUNE AND/OR INFLAMMATORY CONDITIONS AFFECTING THE JOINTS SUCH AS ARTHRITIS, AND INFLAMMATORY BOWEL DISEASE, CARDIVASCULAR ISCHEMIA, DIABETES, CONGESTIVE HEART FAILURE, MYOCARDITIS, ATHEROSCLEROSIS, G. D. SEARLE & COMPANY 2001-03-27 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 (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-20040185539-A1 Process for the preparation of 2-hydroxymethyl-pyrolidine 3, 4-diols HPD, DHPS, DPYD FAAH 2667/4885MAPT 3940/4885HTT 2532/4885
US-20090155862-A1 Process for the preparation of 2-hydroxymethyl-pyrrolidine-3,4-diols HPD, DHPS, DPYD FAAH 1590/4885MAPT 3500/4885HTT 3218/4885

“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.