SCHEMBL298241

SCHEMBL298241

CC(C(=O)O)c1cc(F)c(O)c(F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 10/20 0.53
AKR1C2 P52895 10/20 0.53
PTGS2 P35354 4/20 0.53
PTGS1 P23219 3/20 0.53
CYP2C19 P33261 3/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
CYP2C9 P11712 2/20 0.53
PSEN1 P49768 2/20 0.53
PSEN2 P49810 2/20 0.53
APH1B Q8WW43 2/20 0.53
NCSTN Q92542 2/20 0.53
APH1A Q96BI3 2/20 0.53
PSENEN Q9NZ42 2/20 0.53
FABP2 P12104 1/20 0.53
TSHR P16473 1/20 0.53
AKR1C4 P17516 1/20 0.53
ADRA2B P18089 1/20 0.53
CHRM3 P20309 1/20 0.53
HTR2C P28335 1/20 0.53

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
SCHEMBL490872 0.83 AKR1B1 (0.47) AKR1C3AKR1C2PTGS2PTGS1CYP2C19
SCHEMBL2162196 0.82 AKR1C3 (0.51) AKR1C3AKR1C2PTGS2PTGS1CYP2C19
SCHEMBL11248505 0.79 AKR1C3 (0.61) AKR1C3AKR1C2PTGS2PTGS1CYP2C19
SCHEMBL2125873 0.79 PTGS2 (0.54) AKR1C3AKR1C2PTGS2PTGS1CYP2C19
SCHEMBL2124984 0.79 MT-CO2 (0.44) PTGS2PTGS1CYP2C19LMNAHPGD
SCHEMBL1017920 0.78 PTGS2 (0.47) AKR1C3AKR1C2PTGS2PTGS1CYP2C19
SCHEMBL1533399 0.78 AKR1C3 (0.67) AKR1C3AKR1C2PTGS2PTGS1CYP2C19
SCHEMBL9221016 0.77 AKR1C3 (0.46) AKR1C3AKR1C2PTGS2PTGS1CYP2C9
SCHEMBL1741372 0.77 PTGS2 (0.44) AKR1C3AKR1C2PTGS2PTGS1CYP2C9
SCHEMBL15506106 0.76 PTGS2 (0.47) AKR1C3AKR1C2PTGS2PTGS1CYP2C19

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 24 patents — showing the first 20. 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
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
CN-106243037-A The substituted phenylurea of part and phenyl amide as Rhizoma et radix valerianae compounds receptor 格吕伦塔尔有限公司 2016-12-21 CN disclosed
US-9120756-B2 Substituted phenylureas and phenylamides as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2015-09-01 US disclosed
US-9120756-B2 Substituted phenylureas and phenylamides as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2015-09-01 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
CN-102428071-A SUBSTITUTED PHENYLUREAS AND PHENYLAMIDES AS VANILLOID RECEPTOR LIGANDS GRUENENTHAL GMBH 2012-04-25 CN 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
US-20100331381-A1 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2010-12-30 US 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
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 AKR1C3 3225/4885AKR1C2 3036/4885PTGS2 1571/4885
US-20150099728-A1 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands TRPV1, TRPV5, TRPV6 AKR1C3 3650/4885AKR1C2 3570/4885PTGS2 1336/4885
US-20120258946-A1 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands TRPV1, TRPV5, TRPV6 AKR1C3 3650/4885AKR1C2 3570/4885PTGS2 1336/4885
US-20150011592-A9 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands TRPV1, TRPV5, TRPV2 AKR1C3 3225/4885AKR1C2 3036/4885PTGS2 1571/4885
US-20140142143-A1 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands TRPV1, TRPV5, TRPV2 AKR1C3 3225/4885AKR1C2 3036/4885PTGS2 1571/4885

“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.