SCHEMBL298387

SCHEMBL298387

CC(C(=O)O)c1ccc(C(F)(F)F)c(F)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 13/20 0.68
AKR1C2 P52895 13/20 0.68
PTGS1 P23219 3/20 0.56
PTGS2 P35354 3/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
CYP2C9 P11712 2/20 0.56
CYP2C19 P33261 2/20 0.56
PSEN1 P49768 2/20 0.56
PSEN2 P49810 2/20 0.56
APH1B Q8WW43 2/20 0.56
NCSTN Q92542 2/20 0.56
APH1A Q96BI3 2/20 0.56
PSENEN Q9NZ42 2/20 0.56
FABP2 P12104 1/20 0.56
TSHR P16473 1/20 0.56
AKR1C4 P17516 1/20 0.56
ADRA2B P18089 1/20 0.56
CHRM3 P20309 1/20 0.56
HTR2C P28335 1/20 0.56

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
SCHEMBL27664095 0.88 AKR1C3 (0.54) AKR1C3AKR1C2PTGS1PTGS2MEN1
SCHEMBL1567845 0.87 AKR1C3 (0.63) AKR1C3AKR1C2PTGS1PTGS2MEN1
SCHEMBL30428628 0.86 AKR1C3 (0.64) AKR1C3AKR1C2PTGS1PTGS2MEN1
SCHEMBL2116956 0.82 AKR1C3 (0.56) AKR1C3AKR1C2PTGS1PTGS2MEN1
SCHEMBL29009950 0.82 AKR1C3 (0.64) AKR1C3AKR1C2PTGS1PSEN1PSEN2
SCHEMBL1533399 0.80 AKR1C3 (0.67) AKR1C3AKR1C2PTGS1PTGS2MEN1
SCHEMBL10895409 0.80 PSEN1 (0.54) AKR1C3AKR1C2PSEN1PSEN2APH1B
SCHEMBL13014930 0.80 AKR1C3 (0.47) AKR1C3AKR1C2PTGS1PTGS2APP
SCHEMBL703244 0.79 KIF11 (0.46) AKR1C3AKR1C2
Hydrochloric Acid SCHEMBL2834976 0.79 HSD17B10 (0.47) AKR1C3AKR1C2MEN1KMT2ACYP2C9

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 31 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
US-9624209-B2 Substituted phenylureas and phenylamides as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2017-04-18 US 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
EP-2649045-B1 SUBSTITUTED 1-BENZYLCYCLOALKYLCARBOXLIC ACIDS AND USE THEREOF BAYER IP GMBH (DE) 2015-05-27 EP disclosed
US-20150099728-A1 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands MEDIFRON DBT INC. (KR) 2015-04-09 US disclosed
US-20120258946-A1 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2012-10-11 US disclosed
US-20120258946-A1 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2012-10-11 US disclosed
WO-2012076466-A2 SUBSTITUTED 1-BENZYLCYCLOALKYLCARBOXLIC ACIDS AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-06-14 WO 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 (3 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 3036/4885PTGS1 1768/4885
US-20150099728-A1 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands TRPV1, TRPV5, TRPV6 AKR1C3 3650/4885AKR1C2 3570/4885PTGS1 1476/4885
US-20120258946-A1 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands TRPV1, TRPV5, TRPV6 AKR1C3 3650/4885AKR1C2 3570/4885PTGS1 1476/4885

“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.