SCHEMBL298464

SCHEMBL298464

Cc1cc2c(C(C)C(=O)O)cccc2c(C)n1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CXCL8 P10145 1/20 0.40
KDM4E B2RXH2 2/20 0.38
AKR1B1 P15121 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
LMNA P02545 1/20 0.37
SLC22A12 Q96S37 1/20 0.37
PTGS2 P35354 3/20 0.37
PTGS1 P23219 2/20 0.37
PRNP P04156 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
POLB P06746 1/20 0.36
GPR3 P46089 1/20 0.36

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
SCHEMBL12930804 0.83 TSHR (0.43) KDM4EMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL1055170 0.78 CYP1A2 (0.42) CXCL8KDM4EAKR1B1SMN1; SMN2AKR1C3
SCHEMBL298816 0.77 CYP2A6 (0.40) CXCL8KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL8120419 0.75 AKR1B1 (0.51) CXCL8AKR1B1AKR1C3AKR1C2LMNA
SCHEMBL448107 0.75 AKR1B1 (0.51) CXCL8AKR1B1AKR1C3AKR1C2LMNA
SCHEMBL15641295 0.75 AKR1B1 (0.51) CXCL8AKR1B1AKR1C3AKR1C2LMNA
SCHEMBL27890998 0.74 AKR1B1 (0.50) CXCL8AKR1B1AKR1C3AKR1C2LMNA
SCHEMBL10631379 0.73 AKR1B1 (0.43) CXCL8KDM4EAKR1B1SMN1; SMN2AKR1C3
SCHEMBL10631386 0.73 AKR1B1 (0.43) CXCL8KDM4EAKR1B1SMN1; SMN2AKR1C3
SCHEMBL10631401 0.72 CYP1A2 (0.49) CXCL8KDM4EAKR1B1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2427436-B1 SUBSTITUTED AROMATIC CARBOXAMIDE AND UREA DERIVATIVES AS VANILLOID RECEPTOR LIGANDS GRUENENTHAL GMBH (DE) 2013-01-09 EP disclosed
EP-2427436-B1 SUBSTITUTED AROMATIC CARBOXAMIDE AND UREA DERIVATIVES AS VANILLOID RECEPTOR LIGANDS GRUENENTHAL GMBH (DE) 2013-01-09 EP disclosed
US-8334315-B2 Substituted aromatic carboxamide and urea derivatives as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2012-12-18 US disclosed
US-8334315-B2 Substituted aromatic carboxamide and urea derivatives as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2012-12-18 US disclosed
US-8334315-B2 Substituted aromatic carboxamide and urea derivatives as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2012-12-18 US disclosed
EP-2427436-A1 SUBSTITUTED AROMATIC CARBOXAMIDE AND UREA DERIVATIVES AS VANILLOID RECEPTOR LIGANDS Grünenthal GmbH (DE) 2012-03-14 EP disclosed
US-20110003795-A1 Substituted Aromatic Carboxamide and Urea Derivatives as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2011-01-06 US disclosed
US-20110003795-A1 Substituted Aromatic Carboxamide and Urea Derivatives as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2011-01-06 US disclosed
US-20110003795-A1 Substituted Aromatic Carboxamide and Urea Derivatives as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2011-01-06 US disclosed
WO-2010127855-A1 SUBSTITUTED AROMATIC CARBOXAMIDE AND UREA DERIVATIVES AS VANILLOID RECEPTOR LIGANDS Grünenthal GmbH (DE) 2010-11-11 WO disclosed
WO-2010127855-A1 SUBSTITUTED AROMATIC CARBOXAMIDE AND UREA DERIVATIVES 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 (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-20110003795-A1 Substituted Aromatic Carboxamide and Urea Derivatives as Vanilloid Receptor Ligands TRPV1, UTS2R, CNR2 CXCL8 2465/4885KDM4E 1680/4885AKR1B1 2348/4885

“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.