SCHEMBL670605

SCHEMBL670605

Nc1cc(OCC(F)F)c(C(=O)O)cc1N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
POLB P06746 2/20 0.36
HPGD P15428 2/20 0.36
GAA P10253 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 6/20 0.36
GLA P06280 1/20 0.36
KEAP1 Q14145 1/20 0.36
HSD17B10 Q99714 2/20 0.36
TSHR P16473 2/20 0.36
CDC25B P30305 1/20 0.35
CASP6 P55212 1/20 0.35
RCE1 Q9Y256 1/20 0.35
KMT2A Q03164 4/20 0.34
GFER P55789 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
MEN1 O00255 3/20 0.33
USP2 O75604 2/20 0.33
MAPT P10636 2/20 0.33
THRB P10828 2/20 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
SCHEMBL11951425 0.85 CYP3A4 (0.45) KDM4ETSHRCYP3A4
SCHEMBL670299 0.83 LMNA (0.41) ALDH1A1CASP6KMT2AMEN1MAPT
SCHEMBL27147584 0.83 KDM4E (0.49) ALDH1A1POLBHPGDGAAKDM4E
SCHEMBL1725466 0.80 ALDH1A1 (0.45) ALDH1A1HPGDGAAKDM4EHSD17B10
SCHEMBL24478656 0.78 KDM4E (0.39) ALDH1A1KDM4EGLAHSD17B10TSHR
SCHEMBL30516694 0.78 KDM4E (0.39) ALDH1A1KDM4EGLAHSD17B10TSHR
SCHEMBL1965822 0.78 ACHE (0.39) ALDH1A1POLBHPGDGAAL3MBTL1
SCHEMBL474114 0.78 KEAP1 (0.49) ALDH1A1POLBKDM4EGLAKEAP1
SCHEMBL11232189 0.77 TSHR (0.59) ALDH1A1POLBHPGDGAAL3MBTL1
SCHEMBL1970946 0.77 KDM4E (0.39) ALDH1A1POLBHPGDGAAL3MBTL1

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
EP-2606036-B1 2-ANILINOBENZIMIDAZOLE-6-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM INT (DE) 2014-10-08 EP disclosed
EP-2606036-B1 2-ANILINOBENZIMIDAZOLE-6-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM INT (DE) 2014-10-08 EP disclosed
US-8759537-B2 3H-imidazo [4, 5-C] pyridine-6-carboxamides as anti-inflammatory agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-24 US disclosed
US-8759537-B2 3H-imidazo [4, 5-C] pyridine-6-carboxamides as anti-inflammatory agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-24 US disclosed
EP-2606036-A1 NEW COMPOUNDS Boehringer Ingelheim International GmbH (DE) 2013-06-26 EP disclosed
US-20120214786-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-23 US disclosed
US-20120214786-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-23 US disclosed
WO-2012022793-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-23 WO disclosed
WO-2012022793-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-23 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-20120214786-A1 NEW COMPOUNDS PTGER1, PTGS1, PTGES ALDH1A1 184/4885POLB 2210/4885HPGD 16/4885

“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.