SCHEMBL4358474

SCHEMBL4358474

CC(C)(C)OC(=O)Nc1nnn[nH]1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CYP17A1 P05093 2/20 0.38
ATR Q13535 1/20 0.38
NAMPT P43490 1/20 0.36
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
LCK P06239 3/20 0.35
HSD17B10 Q99714 2/20 0.35
TSHR P16473 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ALDH1A1 P00352 1/20 0.34
GFER P55789 1/20 0.34
F2 P00734 1/20 0.33
MAPT P10636 1/20 0.33
PSMB8 P28062 1/20 0.33
METAP1 P53582 1/20 0.33

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
SCHEMBL7497706 0.84 KDM4E (0.39) CA1CA2NAMPTKMT2AKDM4E
SCHEMBL1480730 0.82 KDM4E (0.39) KMT2AKDM4ELMNAHSD17B10TSHR
SCHEMBL15558268 0.79 AKT1 (0.36) CA1CA2CYP17A1ATRKDM4E
SCHEMBL19508908 0.78 TUBB4A (0.35) HSD17B10TSHRF2MAPT
SCHEMBL9088000 0.77
SCHEMBL10175725 0.77 MAPT (0.46) CA1CA2KMT2AKDM4ELMNA
SCHEMBL8194625 0.77 CA1 (0.35) CA1CA2
SCHEMBL15617029 0.77 AKT1 (0.34) CA1CA2CYP17A1KDM4EHSD17B10
SCHEMBL19508907 0.76 TUBB4A (0.48) KDM4ELMNAHSD17B10ALDH1A1
SCHEMBL10379725 0.76 RECQL (0.45) KMT2AKDM4EHSD17B10NPSR1ALDH1A1

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 CA1 2103/4885CA2 2059/4885CYP17A1 1108/4885
US-20090155862-A1 Process for the preparation of 2-hydroxymethyl-pyrrolidine-3,4-diols HPD, DHPS, DPYD CA1 1920/4885CA2 2406/4885CYP17A1 1656/4885

“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.