SCHEMBL298816

SCHEMBL298816

Cc1nccc2c(C(C)C(=O)O)cccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.40
KDM4E B2RXH2 3/20 0.39
MMP2 P08253 2/20 0.38
MMP9 P14780 2/20 0.38
MMP8 P22894 2/20 0.38
MMP12 P39900 2/20 0.38
MMP13 P45452 2/20 0.38
MMP14 P50281 2/20 0.38
MMP16 P51512 2/20 0.38
CXCL8 P10145 1/20 0.38
MMP1 P03956 1/20 0.38
PTGS2 P35354 5/20 0.37
POLB P06746 1/20 0.37
ALDH1A1 P00352 2/20 0.35
PTGS1 P23219 3/20 0.35
MAPT P10636 2/20 0.34
MEN1 O00255 1/20 0.34
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
CYP1A2 P05177 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
SCHEMBL11263122 0.84 POLB (0.43) KDM4EMMP2MMP9MMP8MMP12
SCHEMBL12930802 0.82 TSHR (0.44) KDM4EALDH1A1MEN1CYP1A2HPGD
SCHEMBL11256929 0.80 RAB9A (0.40) KDM4EMMP2MMP9MMP8MMP12
SCHEMBL18379246 0.80 CYP2A6 (0.47) CYP2A6KDM4EALDH1A1PTGS1MAPT
SCHEMBL11263281 0.80 PDE3B (0.42) MMP2MMP9MMP8MMP12MMP13
SCHEMBL11266799 0.79 POLB (0.39) MMP2MMP9MMP8MMP12MMP13
SCHEMBL25512311 0.78 MMP2 (0.43) MMP2MMP9MMP8MMP12MMP13
SCHEMBL298464 0.77 CXCL8 (0.40) KDM4ECXCL8PTGS2POLBPTGS1
SCHEMBL11255431 0.76 SELPLG (0.44) CXCL8CYP3A4MAOATDO2
SCHEMBL11257836 0.76 BCHE (0.41) MMP2MMP9MMP8MMP12MMP13

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 CYP2A6 857/4885KDM4E 1680/4885MMP2 4831/4885

“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.