SCHEMBL1672502

SCHEMBL1672502

CCOC(=O)c1cc(N)ccc1OCC(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
LMNA P02545 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 1/20 0.45
MAOA P21397 1/20 0.45
ALDH1A1 P00352 4/20 0.44
HSD17B10 Q99714 3/20 0.44
MAPT P10636 2/20 0.44
ALOX15 P16050 2/20 0.44
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
TSHR P16473 1/20 0.41
CYP2D6 P10635 1/20 0.40
SCN1A P35498 1/20 0.40
SCN2A Q99250 1/20 0.40
SCN3A Q9NY46 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL16448805 0.86 ABCB1 (0.45) GAASMN1; SMN2MEN1KMT2ALMNA
SCHEMBL6588826 0.86 LMNA (0.53) GAASMN1; SMN2MEN1KMT2ALMNA
SCHEMBL1725466 0.83 ALDH1A1 (0.45) GAASMN1; SMN2MEN1KMT2ALMNA
SCHEMBL1671945 0.83 GAA (0.39) GAASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL15268117 0.82 KMT2A (0.41) GAASMN1; SMN2MEN1KMT2ALMNA
SCHEMBL12799939 0.81 TSHR (0.39) GAASMN1; SMN2MEN1KMT2ALMNA
SCHEMBL1671606 0.80 LMNA (0.53) GAASMN1; SMN2MEN1KMT2ALMNA
SCHEMBL1671422 0.80 SMN1; SMN2 (0.52) SMN1; SMN2MEN1KMT2ALMNAALDH1A1
SCHEMBL1672276 0.80 CYP1A2 (0.46) GAASMN1; SMN2MEN1KMT2ALMNA
SCHEMBL5863680 0.79 LMNA (0.49) GAASMN1; SMN2MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8951999-B2 Compounds OREXO AB (SE) 2015-02-10 US disclosed
US-8951999-B2 Compounds OREXO AB (SE) 2015-02-10 US disclosed
US-8951999-B2 Compounds OREXO AB (SE) 2015-02-10 US disclosed
EP-2491007-B1 Inhibitors of the microsomal prostaglandin E2 synthase-1 BOEHRINGER INGELHEIM INT (DE) 2013-09-25 EP disclosed
EP-2491007-B1 Inhibitors of the microsomal prostaglandin E2 synthase-1 BOEHRINGER INGELHEIM INT (DE) 2013-09-25 EP disclosed
EP-2491007-A1 INHIBITORS OF THE MICROSOMAL PROSTAGLANDIN E2 SYNTHASE-1 Boehringer Ingelheim International GmbH (DE) 2012-08-29 EP disclosed
US-20110263556-A1 New Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-27 US disclosed
US-20110263556-A1 New Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-27 US disclosed
US-20110263556-A1 New Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-27 US disclosed
WO-2011048004-A1 INHIBITORS OF THE MICROSOMAL PROSTAGLANDIN E2 SYNTHASE-1 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-28 WO disclosed
WO-2011048004-A1 INHIBITORS OF THE MICROSOMAL PROSTAGLANDIN E2 SYNTHASE-1 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-28 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-20110263556-A1 New Compounds PTGES, PTGER1, PTGS1 GAA 2196/4885SMN1; SMN2 3540/4885MEN1 4361/4885

“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.