SCHEMBL2566648

SCHEMBL2566648

O=C(N1CCc2cc(O)c([N+](=O)[O-])cc2CC1)C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.50
ESR2 Q92731 5/20 0.50
HPGD P15428 2/20 0.39
SIRT6 Q8N6T7 1/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
CA12 O43570 1/20 0.38
GAA P10253 2/20 0.37
RAB9A P51151 1/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
ABHD6 Q9BV23 1/20 0.36
MAPT P10636 2/20 0.35
PKM P14618 2/20 0.35
THRB P10828 1/20 0.35
CA14 Q9ULX7 1/20 0.35
KDM1A O60341 1/20 0.35

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
SCHEMBL29846862 0.93 ESR1 (0.56) ESR1ESR2HPGDCA1CA2
SCHEMBL28831839 0.93 ESR1 (0.56) ESR1ESR2HPGDCA1CA2
SCHEMBL31164761 0.93 ESR1 (0.56) ESR1ESR2HPGDCA1CA2
SCHEMBL721253 0.91 ESR1 (0.51) ESR1ESR2HPGDSIRT6CA1
SCHEMBL2061200 0.82 ESR1 (0.51) ESR1ESR2SIRT6RAB9ALMNA
SCHEMBL19147494 0.81 ESR1 (0.42) ESR1ESR2HPGDCA1CA2
SCHEMBL4171865 0.80 ESR1 (0.53) ESR1ESR2HPGDGAARAB9A
SCHEMBL29859565 0.80 MAPT (0.41) ESR1ESR2HPGDGAALMNA
SCHEMBL717839 0.80 MAPT (0.41) ESR1ESR2HPGDGAALMNA
SCHEMBL25229709 0.79 ESR1 (0.55) ESR1ESR2HPGDGAARAB9A

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-9676781-B2 Substituted glycinamides, process for their manufacture and use thereof as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-06-13 US disclosed
US-20150252050-A1 NEW SUBSTITUTED GLYCINAMIDES, PROCESS FOR THEIR MANUFACTURE AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2015-09-10 US disclosed
US-9062034-B2 Substituted glycinamides, process for their manufacture and use thereof as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-06-23 US disclosed
US-20130184256-A1 NEW SUBSTITUTED GLYCINAMIDES, PROCESS FOR THEIR MANUFACTURE AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-18 US disclosed
EP-1899330-B9 SUBSTITUTED GLYCINAMIDES HAVING AN ANTITHROMBOTIC AND FACTOR XA-INHIBITING EFFECT BOEHRINGER INGELHEIM INT (DE) 2011-11-09 EP disclosed
EP-1899330-B1 SUBSTITUTED GLYCINAMIDES HAVING AN ANTITHROMBOTIC AND FACTOR XA-INHIBITING EFFECT BOEHRINGER INGELHEIM INT (DE) 2010-11-24 EP disclosed
US-20100216769-A1 SUBSTITUTED GLYCINAMIDES, PROCESS FOR THEIR MANUFACTURE AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-26 US disclosed
EP-1899330-A1 SUBSTITUTED GLYCINAMIDES HAVING AN ANTITHROMBOTIC AND FACTOR XA-INHIBITING EFFECT Boehringer Ingelheim International GmbH (DE) 2008-03-19 EP disclosed
WO-2007003536-A1 SUBSTITUTED GLYCINAMIDES HAVING AN ANTITHROMBOTIC AND FACTOR XA-INHIBITING EFFECT BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-01-11 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 (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-20100216769-A1 SUBSTITUTED GLYCINAMIDES, PROCESS FOR THEIR MANUFACTURE AND USE THEREOF AS MEDICAMENTS PGM2, MGAM, GNMT ESR1 2834/4885ESR2 2936/4885HPGD 2287/4885
US-20130184256-A1 NEW SUBSTITUTED GLYCINAMIDES, PROCESS FOR THEIR MANUFACTURE AND USE THEREOF AS MEDICAMENTS PGM2, MGAM, GRM1 ESR1 2635/4885ESR2 2553/4885HPGD 1932/4885
US-20150252050-A1 NEW SUBSTITUTED GLYCINAMIDES, PROCESS FOR THEIR MANUFACTURE AND USE THEREOF AS MEDICAMENTS PGM2, MGAM, GRM1 ESR1 2635/4885ESR2 2553/4885HPGD 1932/4885

“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.