SCHEMBL2527072

SCHEMBL2527072

CCOC(=O)C(C)c1ccc([N+](=O)[O-])c(C)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
SMN1; SMN2 Q16637 5/20 0.46
MAPT P10636 5/20 0.46
ALDH1A1 P00352 3/20 0.46
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
LMNA P02545 3/20 0.43
MAPK1 P28482 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
POLB P06746 1/20 0.42
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
KMT2A Q03164 2/20 0.41
PKM P14618 1/20 0.41
HPGD P15428 1/20 0.41
GAA P10253 1/20 0.40

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
SCHEMBL4150673 0.87 GPR35 (0.44) SMN1; SMN2MAPTALDH1A1NPC1RAB9A
SCHEMBL3726022 0.87 TSHR (0.49) TSHRSMN1; SMN2MAPTALDH1A1NPC1
SCHEMBL5676255 0.86 TDP1 (0.44) SMN1; SMN2MAPTALDH1A1LMNAMAPK1
SCHEMBL3801755 0.86 ALDH1A1 (0.50) TSHRSMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL2531382 0.86 MAPT (0.44) SMN1; SMN2MAPTALDH1A1NPC1RAB9A
SCHEMBL14797532 0.85 ALDH1A1 (0.49) ALDH1A1LMNATDP1POLBAKR1C3
SCHEMBL4136743 0.84 MAPT (0.48) TSHRSMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL13968017 0.84 TSHR (0.43) TSHRSMN1; SMN2MAPTALDH1A1NPC1
SCHEMBL4128141 0.83 ADRB2 (0.49) TSHRSMN1; SMN2MAPTALDH1A1NPC1
SCHEMBL2597745 0.82 AKR1C3 (0.58) TSHRMAPTALDH1A1AKR1C3AKR1C2

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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9624209-B2 Substituted phenylureas and phenylamides as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2017-04-18 US disclosed
US-8937092-B2 Aryl or N-heteroaryl substituted methanesulfonamide derivatives as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2015-01-20 US disclosed
US-8937092-B2 Aryl or N-heteroaryl substituted methanesulfonamide derivatives as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2015-01-20 US disclosed
US-8937092-B2 Aryl or N-heteroaryl substituted methanesulfonamide derivatives as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2015-01-20 US disclosed
EP-2760835-A1 ARYL OR N-HETEROARYL SUBSTITUTED METHANESULFONAMIDE DERIVATIVES AS VANILLOID RECEPTOR LIGANDS Grünenthal GmbH (DE) 2014-08-06 EP disclosed
EP-2760836-A1 AMINE SUBSTITUTED METHANESULFONAMIDE DERIVATIVES AS VANILLOID RECEPTOR LIGANDS Grünenthal GmbH (DE) 2014-08-06 EP disclosed
CN-103958472-A Aryl-or N-heteroaryl-substituted methanesulfonamide derivatives as vanilloid receptor ligands GRUENENTHAL GMBH 2014-07-30 CN disclosed
US-8765733-B2 Amine substituted methanesulfonamide derivatives as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2014-07-01 US disclosed
US-8765733-B2 Amine substituted methanesulfonamide derivatives as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2014-07-01 US disclosed
US-8765733-B2 Amine substituted methanesulfonamide derivatives as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2014-07-01 US disclosed
EP-2388258-A1 Novel vanilloid receptor ligands and their use for producing medicaments Grünenthal GmbH (DE) 2011-11-23 EP disclosed
US-8038010-B1 Single piece edge protector for curved objects ILLINOIS TOOL WORKS INC. (US) 2011-10-18 US disclosed
CN-101331124-A Novel capsaicin receptor ligands and their use for the manufacture of medicaments GRUENENTHAL CHEMIE (DE) 2008-12-24 CN disclosed
EP-1940821-A2 NOVEL VANILLOID RECEPTOR LIGANDS AND THEIR USE FOR PRODUCING MEDICAMENTS Grünenthal GmbH (DE) 2008-07-09 EP disclosed
US-20070105861-A1 NOVEL VANILLOID RECEPTOR LIGANDS AND USE THEREOF FOR THE PRODUCTION OF PHARMACEUTICAL PREPARATIONS GRUENENTHAL GMBH (DE) 2007-05-10 US disclosed
US-20070105861-A1 NOVEL VANILLOID RECEPTOR LIGANDS AND USE THEREOF FOR THE PRODUCTION OF PHARMACEUTICAL PREPARATIONS GRUENENTHAL GMBH (DE) 2007-05-10 US disclosed
US-20070105861-A1 NOVEL VANILLOID RECEPTOR LIGANDS AND USE THEREOF FOR THE PRODUCTION OF PHARMACEUTICAL PREPARATIONS GRUENENTHAL GMBH (DE) 2007-05-10 US disclosed
WO-2007045462-A2 NOVEL VANILLOID RECEPTOR LIGANDS AND THEIR USE FOR PRODUCING MEDICAMENTS Grünenthal GmbH (DE) 2007-04-26 WO disclosed
WO-2007045462-A2 NOVEL VANILLOID RECEPTOR LIGANDS AND THEIR USE FOR PRODUCING MEDICAMENTS Grünenthal GmbH (DE) 2007-04-26 WO disclosed
EP-0569139-A2 Alkyl substituted nitrotoluene derivatives ZENECA LIMITED (GB) 1993-11-10 EP 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-20070105861-A1 NOVEL VANILLOID RECEPTOR LIGANDS AND USE THEREOF FOR THE PRODUCTION OF PHARMACEUTICAL PREPARATIONS TRPV1, TRPV5, TRPV2 TSHR 969/4885SMN1; SMN2 4541/4885MAPT 4129/4885

“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.