SCHEMBL287937

SCHEMBL287937

CC(C(=O)O)c1ccc(F)c(F)c1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 12/20 0.41
PTGS1 P23219 11/20 0.41
AKR1C3 P42330 3/20 0.40
AKR1C2 P52895 3/20 0.40
APP P05067 1/20 0.35
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
MEN1 O00255 1/20 0.34
FABP2 P12104 1/20 0.34
TSHR P16473 1/20 0.34
AKR1C4 P17516 1/20 0.34
ADRA2B P18089 1/20 0.34
CHRM3 P20309 1/20 0.34
HTR2C P28335 1/20 0.34
DRD3 P35462 1/20 0.34
KMT2A Q03164 1/20 0.34
AKR1C1 Q04828 1/20 0.34
SLC22A6 Q4U2R8 1/20 0.34

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
SCHEMBL28349211 0.81 AKR1C3 (0.48) PTGS2PTGS1AKR1C3AKR1C2MEN1
SCHEMBL195340 0.78 CES2 (0.49) PTGS2PTGS1AKR1C3AKR1C2APP
SCHEMBL16216330 0.75 AKR1C3 (0.52) PTGS2PTGS1AKR1C3AKR1C2MEN1
SCHEMBL16207559 0.75 AKR1C3 (0.52) PTGS2PTGS1AKR1C3AKR1C2MEN1
SCHEMBL10914645 0.75 AKR1C3 (0.52) AKR1C3AKR1C2MEN1KMT2A
SCHEMBL11166152 0.74 TDP1 (0.42) TSHRHTR2C
SCHEMBL10717343 0.73 TSHR (0.50) AKR1C3AKR1C2MEN1TSHRKMT2A
SCHEMBL6204506 0.73 CES2 (0.45) AKR1C2CES2CES1MEN1TSHR
SCHEMBL1970520 0.72 ATM (0.46) PTGS2PTGS1AKR1C3AKR1C2
SCHEMBL10685950 0.72 CYP1A2 (0.49) PTGS2AKR1C3AKR1C2MEN1TSHR

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 PTGS2 1571/4885PTGS1 1768/4885AKR1C3 3225/4885
US-20150099728-A1 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands TRPV1, TRPV5, TRPV6 PTGS2 1336/4885PTGS1 1476/4885AKR1C3 3650/4885
US-20120258946-A1 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands TRPV1, TRPV5, TRPV6 PTGS2 1336/4885PTGS1 1476/4885AKR1C3 3650/4885
US-20150011592-A9 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands TRPV1, TRPV5, TRPV2 PTGS2 1571/4885PTGS1 1768/4885AKR1C3 3225/4885
US-20140142143-A1 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands TRPV1, TRPV5, TRPV2 PTGS2 1571/4885PTGS1 1768/4885AKR1C3 3225/4885

“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.