SCHEMBL287934

SCHEMBL287934

O=C(O)C(F)(F)C(c1ccccc1)[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GSR P00390 1/20 0.38
▸ CYP2D6 P10635 1/20 0.36
▸ SRC P12931 1/20 0.36
▸ KMT2A Q03164 1/20 0.35
▸ LMNA P02545 2/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ CES1 P23141 3/20 0.34
▸ CES2 O00748 2/20 0.34
▸ CPA1 P15085 3/20 0.33
▸ ACP3 P15309 1/20 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
SCHEMBL9793652 0.81 ALDH1A1 (0.38) GSRCYP2D6KMT2ALMNAMAPK1
SCHEMBL12630728 0.73 KMT2A (0.38) GSRKMT2ALMNAACP3
SCHEMBL17223838 0.72 MAPT (0.42) GSRCYP2D6KMT2A
SCHEMBL29009915 0.71 CYP2D6 (0.43) CYP2D6SRCLMNAMAPK1CES1
SCHEMBL15114536 0.71 LMNA (0.47) CYP2D6SRCLMNAMAPK1CES1
SCHEMBL287935 0.70 GSR (0.37) GSRCYP2D6SRCKMT2ALMNA
SCHEMBL11012497 0.70 SLC6A4 (0.39) GSRKMT2ALMNAMAPK1
SCHEMBL29010088 0.69 CYP2D6 (0.41) CYP2D6SRCLMNAMAPK1CES1
SCHEMBL288096 0.69 CYP2D6 (0.41) CYP2D6SRCLMNAMAPK1CES1
SCHEMBL17841494 0.69 CYP2D6 (0.41) CYP2D6SRCLMNAMAPK1CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2427435-B1 SUBSTITUTED PHENYLUREAS AND PHENYLAMIDES AS VANILLOID RECEPTOR LIGANDS MEDIFRON DBT INC (KR) 2017-06-14 — — EP disclosed
US-9624209-B2 Substituted phenylureas and phenylamides as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2017-04-18 — — US disclosed
US-9120756-B2 Substituted phenylureas and phenylamides as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2015-09-01 — — US disclosed
US-20150099728-A1 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands MEDIFRON DBT INC. (KR) 2015-04-09 — — US disclosed
US-8946204-B2 Substituted phenylureas and phenylamides as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2015-02-03 — — US disclosed
US-20150011592-A9 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2015-01-08 — — US disclosed
US-20140142143-A1 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2014-05-22 — — US disclosed
US-8592471-B2 Substituted phenylureas and phenylamides as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2013-11-26 — — US disclosed
US-20120258946-A1 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2012-10-11 — — US disclosed
EP-2427435-A1 SUBSTITUTED PHENYLUREAS AND PHENYLAMIDES AS VANILLOID RECEPTOR LIGANDS Grünenthal GmbH (DE) 2012-03-14 — — EP disclosed
US-20100331381-A1 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2010-12-30 — — US disclosed
WO-2010127856-A1 SUBSTITUTED PHENYLLUREAS AND PHENYLAMIDES AS VANILLOID RECEPTOR LIGANDS Grünenthal GmbH (DE) 2010-11-11 — — 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 (5 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-20100331381-A1 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands TRPV1, TRPV5, TRPV2 GSR 3125/4885CYP2D6 552/4885SRC 1456/4885
US-20150099728-A1 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands TRPV1, TRPV5, TRPV6 GSR 3198/4885CYP2D6 593/4885SRC 1304/4885
US-20120258946-A1 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands TRPV1, TRPV5, TRPV6 GSR 3198/4885CYP2D6 593/4885SRC 1304/4885
US-20150011592-A9 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands TRPV1, TRPV5, TRPV2 GSR 3125/4885CYP2D6 552/4885SRC 1456/4885
US-20140142143-A1 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands TRPV1, TRPV5, TRPV2 GSR 3125/4885CYP2D6 552/4885SRC 1456/4885

“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.

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