SCHEMBL299092

SCHEMBL299092

CC(C(=O)O)c1cccc2c1CCC2O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLL Q9UGP5 1/20 0.38
FFAR1 O14842 1/20 0.38
CXCL8 P10145 2/20 0.38
PTGS2 P35354 10/20 0.37
PTGS1 P23219 9/20 0.36
MAPT P10636 2/20 0.36
CXCR1 P25024 2/20 0.36
CXCR2 P25025 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
RECQL P46063 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
CYP3A4 P08684 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
PMP22 Q01453 1/20 0.36
SLC22A6 Q4U2R8 1/20 0.36
HSD17B10 Q99714 1/20 0.36
THPO P40225 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
SCHEMBL286869 0.84 POLL (0.42) POLLFFAR1PTGS2PTGS1S1PR1
SCHEMBL9277801 0.82 FFAR1 (0.41) POLLFFAR1PTGS1LMNACYP3A4
SCHEMBL12013418 0.82 FFAR1 (0.41) POLLFFAR1PTGS1LMNACYP3A4
SCHEMBL1508242 0.76 POLL (0.36) POLLS1PR1S1PR2S1PR4S1PR3
SCHEMBL12013415 0.73 UGT2B17 (0.44) POLLFFAR1PTGS1ALDH1A1LMNA
SCHEMBL9277871 0.73 S1PR1 (0.41) POLLFFAR1PTGS1LMNACYP3A4
SCHEMBL5666214 0.72 DRD2 (0.42) POLLMAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL21784784 0.72 MMP2 (0.42) CXCL8PTGS2PTGS1MAPTCXCR1
SCHEMBL298489 0.71 TRPV1 (0.40) CXCL8PTGS2PTGS1MAPTCXCR1
SCHEMBL9282044 0.71 POLL (0.40) POLLFFAR1S1PR1S1PR2S1PR4

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 POLL 4403/4885FFAR1 87/4885CXCL8 2465/4885

“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.