SCHEMBL2355799

SCHEMBL2355799

CNc1nc(OCC(F)F)c(C(=O)NC2CCC(C(F)(F)F)CC2)cc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGES O14684 9/20 0.41
ALDH1A1 P00352 2/20 0.37
LRRK2 Q5S007 1/20 0.36
POLB P06746 1/20 0.35
HPGDS O60760 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
SCHEMBL671216 1.00 PTGES (0.41) PTGESALDH1A1LRRK2POLBHPGDS
SCHEMBL9899154 0.90 PTGES (0.39) PTGESALDH1A1POLBHPGDS
SCHEMBL9899157 0.90 PTGES (0.39) PTGESALDH1A1POLBHPGDS
SCHEMBL11908746 0.89 TYK2 (0.41) ALDH1A1LRRK2POLBHPGDS
SCHEMBL11909557 0.89 ALDH1A1 (0.38) PTGESALDH1A1LRRK2POLBHPGDS
SCHEMBL11908744 0.89 TYK2 (0.41) ALDH1A1LRRK2POLBHPGDS
SCHEMBL11909555 0.89 ALDH1A1 (0.38) PTGESALDH1A1LRRK2POLBHPGDS
SCHEMBL671847 0.88 PTGES (0.43) PTGESALDH1A1POLB
SCHEMBL673073 0.88 PTGES (0.43) PTGESALDH1A1POLB
SCHEMBL11980755 0.88 ALDH1A1 (0.37) PTGESALDH1A1LRRK2POLBHPGDS

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
EP-2350073-B1 3H-IMIDAZO[4,5-b]PYRIDINE-6-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM INT (DE) 2014-11-12 EP disclosed
US-8703796-B2 3H-imidazo [4, 5-B] pyridine-6-carboxamides as anti-inflammatory agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-04-22 US disclosed
US-8586604-B2 Inhibitors of the microsomal prostaglandin E2 synthase-1 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-11-19 US disclosed
US-20120208839-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-16 US disclosed
US-20120115902-A1 3H-Imidazo [4, 5-B] Pyridine- 6 -Carboxamides As Anti-Inflammatory Agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-10 US disclosed
EP-2350073-A1 3H-IMIDAZO[4,5-b]PYRIDINE-6-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS Boehringer Ingelheim International GmbH (DE) 2011-08-03 EP disclosed
WO-2010034799-A1 3H-IMIDAZ0 [4, 5-B] PYRIDINE- 6 -CARBOXAMIDES AS ANTI -INFLAMMATORY AGENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 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-20120115902-A1 3H-Imidazo [4, 5-B] Pyridine- 6 -Carboxamides As Anti-Inflammatory Agents MAP4, MAPRE2, IL4 PTGES 132/4885ALDH1A1 1596/4885LRRK2 1479/4885
US-20120208839-A1 NEW COMPOUNDS PTGER1, PTGS1, PTGES PTGES 3/4885ALDH1A1 173/4885LRRK2 3541/4885

“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.