SCHEMBL9899154

SCHEMBL9899154

O=C(N[C@H]1CC[C@H](C(F)(F)F)CC1)c1cc([N+](=O)[O-])c(NCC(F)F)nc1OCC(F)F

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGES O14684 10/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGDS O60760 3/20 0.38
POLB P06746 1/20 0.35
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32

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
SCHEMBL9899157 1.00 PTGES (0.39) PTGESALDH1A1HPGDSPOLBCNR1
SCHEMBL2355799 0.90 PTGES (0.41) PTGESALDH1A1HPGDSPOLB
SCHEMBL671216 0.90 PTGES (0.41) PTGESALDH1A1HPGDSPOLB
SCHEMBL673073 0.88 PTGES (0.43) PTGESALDH1A1POLBCNR1CNR2
SCHEMBL671847 0.88 PTGES (0.43) PTGESALDH1A1POLBCNR1CNR2
SCHEMBL11908364 0.87 PTGES (0.41) PTGESALDH1A1HPGDSPOLBCNR1
SCHEMBL11908368 0.87 PTGES (0.41) PTGESALDH1A1HPGDSPOLBCNR1
SCHEMBL11985101 0.81 POLB (0.38) PTGESALDH1A1POLBSMN1; SMN2
SCHEMBL9899519 0.80 PTGES (0.40) PTGESALDH1A1HPGDSPOLBCNR2
SCHEMBL10091447 0.79 MYC (0.36) ALDH1A1POLBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2649071-B1 Imidazo(4,5-b)pyridine-6-carboxamides as anti-inflammatory agents OREXO AB (SE) 2015-07-08 EP disclosed
EP-2649071-A1 IMIDAZO(4,5-B)PYRIDINE-6-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS Boehringer Ingelheim International GmbH (DE) 2013-10-16 EP disclosed
US-8486968-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-16 US disclosed
US-8486968-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-16 US disclosed
US-20120309755-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-06 US disclosed
US-20120309755-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-06 US disclosed
WO-2012076674-A1 IMIDAZO(4,5-B)PYRIDINE-6-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-14 WO disclosed
WO-2012076674-A1 IMIDAZO(4,5-B)PYRIDINE-6-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-14 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 (1 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-20120309755-A1 NOVEL COMPOUNDS PTGER1, PTGS1, PTGES PTGES 3/4885ALDH1A1 112/4885HPGDS 8/4885

“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.