SCHEMBL1671952

SCHEMBL1671952

Nc1ccc(OCC(F)F)c(C(=O)N[C@H]2CC[C@H](C(F)(F)F)CC2)c1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.51
POLB P06746 1/20 0.51
PTGES O14684 11/20 0.46
CNR2 P34972 1/20 0.39
KDM1A O60341 1/20 0.38
PDE4B Q07343 1/20 0.37
SCN1A P35498 1/20 0.37
SCN5A Q14524 1/20 0.37
SCN9A Q15858 1/20 0.37
HTR2A P28223 1/20 0.37
SMYD3 Q9H7B4 1/20 0.37

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
SCHEMBL1671955 1.00 ALDH1A1 (0.51) ALDH1A1POLBPTGESCNR2KDM1A
SCHEMBL10170049 0.87 PTGES (0.48) ALDH1A1POLBPTGESCNR2SCN9A
SCHEMBL11970148 0.87 PTGES (0.48) ALDH1A1POLBPTGESCNR2SCN9A
SCHEMBL12259646 0.86 ALDH1A1 (0.52) ALDH1A1POLBPTGESCNR2KDM1A
SCHEMBL1671243 0.84 ALDH1A1 (0.47) ALDH1A1POLBPTGES
SCHEMBL1671245 0.84 ALDH1A1 (0.47) ALDH1A1POLBPTGES
SCHEMBL1725448 0.82 PTGES (0.47) ALDH1A1POLBPTGESCNR2SCN9A
SCHEMBL1725449 0.82 PTGES (0.47) ALDH1A1POLBPTGESCNR2SCN9A
SCHEMBL10170051 0.80 MLNR (0.49) ALDH1A1POLBPTGESCNR2HTR2A
SCHEMBL11970126 0.80 MLNR (0.49) ALDH1A1POLBPTGESCNR2HTR2A

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-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-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

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 ALDH1A1 228/4885POLB 2618/4885PTGES 1/4885

“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.