SCHEMBL4542003

SCHEMBL4542003

Nc1nc2ncc(C(O)C(O)CO)nc2c(=O)[nH]1

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.69
NOS1 P29475 9/20 0.49
AKR1B1 P15121 4/20 0.44
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 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
SCHEMBL59519 1.00 HSD17B10 (0.69) HSD17B10NOS1AKR1B1KDM4EMEN1
SCHEMBL59520 1.00 HSD17B10 (0.69) HSD17B10NOS1AKR1B1KDM4EMEN1
SCHEMBL30287655 1.00 HSD17B10 (0.69) HSD17B10NOS1AKR1B1KDM4EMEN1
SCHEMBL13314521 1.00 HSD17B10 (0.69) HSD17B10NOS1AKR1B1KDM4EMEN1
SCHEMBL29776903 1.00 HSD17B10 (0.69) HSD17B10NOS1AKR1B1KDM4EMEN1
SCHEMBL29424531 1.00 HSD17B10 (0.69) HSD17B10NOS1AKR1B1KDM4EMEN1
Xylitol SCHEMBL18285153 0.96 HSD17B10 (0.68) HSD17B10NOS1AKR1B1KDM4EMEN1
Mannitol SCHEMBL21903100 0.96 HSD17B10 (0.68) HSD17B10NOS1AKR1B1KDM4EMEN1
Phosphoric Acid SCHEMBL1443736 0.95 HSD17B10 (0.63) HSD17B10NOS1AKR1B1
SCHEMBL12559328 0.90 HSD17B10 (0.66) HSD17B10NOS1AKR1B1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140349969-A1 COMPOUNDS AND METHODS FOR TREATING PAIN AKRON MOLECULES AG (AT) 2014-11-27 US disclosed
EP-2674161-A1 FMO3 inhibitors for treating pain Akron Molecules GmbH (AT) 2013-12-18 EP disclosed
US-20130252924-A1 Compounds and Methods for Treating Pain AKRON MOLECULES GMBH (AT) 2013-09-26 US disclosed
EP-2637649-A2 COMPOUNDS AND METHODS FOR TREATING PAIN Akron Molecules GmbH (AT) 2013-09-18 EP disclosed
WO-2012062925-A2 COMPOUNDS AND METHODS FOR TREATING PAIN AKRON MOLECULES GMBH (AT) 2012-05-18 WO disclosed
US-6562969-B1 Ricin A-chain is an N-glycosidase that attacks ribosomal RNA at a highly conserved adenine residue. Crystallographic studies show that not only adenine and formycin, but also pterin-based rings can bind in the ricin active site. RESEARCH DEVELOPMENT FOUNDATION 2003-05-13 US disclosed
WO-2001073438-A1 RICIN INHIBITORS AND METHODS FOR USE THEREOF RESEARCH DEVELOPMENT FOUNDATION (US) 2001-10-04 WO disclosed
US-6177280-B1 SCREENING FOR A RICIN INHIBITOR BY IDENTIFYING AND TESTING A COMPOUND WHICH BINDS TO THE ACTIVE SITE OF THE RICIN A CHAIN (RTA), HAS A MOLECULAR CORE RESEMBLING AN ADENINE MOIETY IN SIZE AND SHAPE AND IS DERIVATIZED WITH POLAR SUBSTITUENTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2001-01-23 US disclosed
WO-1998028298-A1 RICIN INHIBITORS AND METHODS FOR USE THEREOF RESEARCH DEVELOPMENT FOUNDATION (US) 1998-07-02 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-20140349969-A1 COMPOUNDS AND METHODS FOR TREATING PAIN TRPV1, ACHE, OPRL1 HSD17B10 1782/4885NOS1 1153/4885AKR1B1 1566/4885
US-20130252924-A1 Compounds and Methods for Treating Pain TRPV1, ACHE, OPRL1 HSD17B10 1782/4885NOS1 1153/4885AKR1B1 1566/4885

“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.