SCHEMBL2729631

SCHEMBL2729631

COc1cc(CC(=O)O)ccc1OC(C)=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.64
CA5A P35218 1/20 0.64
GAA P10253 4/20 0.64
TSHR P16473 2/20 0.64
NFKB1 P19838 2/20 0.64
TDP1 Q9NUW8 2/20 0.64
ALDH1A1 P00352 1/20 0.64
NPSR1 Q6W5P4 1/20 0.57
AKR1C3 P42330 1/20 0.51
AKR1C2 P52895 1/20 0.51
LDHA P00338 1/20 0.51
NR3C1 P04150 1/20 0.51
CFD P00746 1/20 0.50
SELL P14151 1/20 0.50
SELP P16109 1/20 0.50
JUN P05412 1/20 0.50
NPC1 O15118 1/20 0.50
LMNA P02545 1/20 0.50
HTT P42858 1/20 0.50
LTA4H P09960 1/20 0.49

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
SCHEMBL9360555 0.92 GAA (0.56) PTGS1CA5AGAATSHRNFKB1
SCHEMBL6221035 0.92 GAA (0.56) PTGS1CA5AGAATSHRNFKB1
Methane SCHEMBL10372267 0.90 GAA (0.54) PTGS1CA5AGAATSHRNFKB1
SCHEMBL153055 0.88 GAA (0.74) PTGS1CA5AGAATSHRNFKB1
SCHEMBL30049382 0.88 GAA (0.74) PTGS1CA5AGAATSHRNFKB1
SCHEMBL27952523 0.86 GAA (0.72) PTGS1CA5AGAATSHRNFKB1
Hydrochloric Acid SCHEMBL2530820 0.86 GAA (0.72) PTGS1CA5AGAATSHRNFKB1
SCHEMBL9808605 0.86 PTGS1 (0.62) PTGS1CA5AGAATSHRNFKB1
SCHEMBL21328344 0.85 GAA (0.70) PTGS1CA5AGAATSHRNFKB1
SCHEMBL2210563 0.84 RXRA (0.51) PTGS1CA5AGAATSHRNFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9056859-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2015-06-16 US disclosed
EP-2632464-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2015-04-29 EP disclosed
EP-2632464-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL Merck Sharp & Dohme Corp. (US) 2013-09-04 EP disclosed
US-20130217680-A1 Inhibitors of the Renal Outer Medullary Potassium Channel MERCK SHARP & DOHME LLC 2013-08-22 US disclosed
WO-2012058134-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2012-05-03 WO disclosed
US-7767854-B2 N-substituted phenylacetamide derivative and pharmaceutical composition containing the same DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-08-03 US disclosed
US-20090192203-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2009-07-30 US disclosed
US-20090192203-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2009-07-30 US disclosed
US-20090192203-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2009-07-30 US disclosed
US-20090082463-A1 N-substituted phenylacetamide derivative and pharmaceutical composition containing the same DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2009-03-26 US disclosed
US-20040230064-A1 Novel labeled resiniferatoxin derivatives ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-11-18 US disclosed
EP-1341795-A2 NOVEL LABELED RESINIFERATOXIN DERIVATIVES Ortho-McNeil Pharmaceutical, Inc. (US) 2003-09-10 EP disclosed
WO-2002030937-A2 LABELED RESINIFERATOXIN DERIVATIVES FOR USE IN VANILLOID RECEPTOR BINDING ASSAY ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2002-04-18 WO disclosed
EP-0535250-B1 NOVEL COMPOUNDS AND USE THEREOF AS MEDICINE TSUMURA & CO (JP) 1996-06-19 EP disclosed
EP-0705817-A1 New cannamide derivatives and their use as allergy inhibitors TSUMURA & CO. (JP) 1996-04-10 EP disclosed
US-5344845-A Methyl 4(4-acetoxy-3-methoxycinnamanide and salts as an immunosuppressive drug for allergic reactions TSUMURA & CO. (JP) 1994-09-06 US disclosed
EP-0535250-A1 NOVEL COMPOUNDS AND USE THEREOF AS MEDICINE TSUMURA & CO. (JP) 1993-04-07 EP disclosed
US-5013759-A Phenylacetic acid amide or thioamide derivatives THE PROCTER & GAMBLE COMPANY (US) 1991-05-07 US disclosed
EP-0206609-B1 COMPOUNDS AND COMPOSITIONS HAVING ANTI-INFLAMMATORY AND ANALGESIC ACTIVITY THE PROCTER & GAMBLE COMPANY (US) 1989-09-20 EP disclosed
EP-0206609-A1 Compounds and compositions having anti-inflammatory and analgesic activity THE PROCTER & GAMBLE COMPANY (US) 1986-12-30 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 (4 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-20090082463-A1 N-substituted phenylacetamide derivative and pharmaceutical composition containing the same HRH4, HRH2, CNR2 PTGS1 5/4885CA5A 804/4885GAA 4360/4885
US-20130217680-A1 Inhibitors of the Renal Outer Medullary Potassium Channel KCNJ11, KCNJ1, KCNJ2 PTGS1 1496/4885CA5A 2960/4885GAA 4187/4885
US-20040230064-A1 Novel labeled resiniferatoxin derivatives TRPV1, GPR17, ANTXR2 PTGS1 1170/4885CA5A 3416/4885GAA 2461/4885
US-20090192203-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS PPARG, PPARA, PPARD PTGS1 354/4885CA5A 1999/4885GAA 995/4885

“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.