SCHEMBL1746047

SCHEMBL1746047

COC(=O)C(C)c1ccc2c(c1)OCO2

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.56
PTGS1 P23219 1/20 0.56
EDNRA P25101 4/20 0.55
KMT2A Q03164 3/20 0.52
HPGD P15428 1/20 0.52
TAS1R3 Q7RTX0 3/20 0.52
TAS1R1 Q7RTX1 3/20 0.52
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 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
SCHEMBL22404286 0.86 EDNRA (0.56) EDNRAKMT2AHPGDTAS1R3TAS1R1
SCHEMBL12053329 0.85 CYP3A4 (0.55) PTGS2PTGS1KMT2AHPGDMEN1
SCHEMBL805660 0.84 EDNRA (0.55) EDNRAKMT2AHPGDTAS1R3TAS1R1
SCHEMBL27598809 0.83 PTGS1 (0.63) PTGS2PTGS1KMT2AHPGDMEN1
SCHEMBL4996294 0.83 EDNRA (0.54) EDNRAKMT2AHPGDTAS1R3TAS1R1
SCHEMBL14032401 0.83 EDNRA (0.54) EDNRAKMT2AHPGDTAS1R3TAS1R1
SCHEMBL805662 0.83 EDNRA (0.54) EDNRAKMT2AHPGDTAS1R3TAS1R1
SCHEMBL10204938 0.83 EDNRA (0.54) EDNRAKMT2AHPGDTAS1R3TAS1R1
SCHEMBL18252774 0.82 PTGS1 (0.61) PTGS2PTGS1KMT2AHPGDMEN1
SCHEMBL15695562 0.82 PTGS1 (0.66) PTGS2PTGS1KMT2AHPGDMEN1

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
EP-2385934-B1 INHIBITORS OF PHOSPHATIDYLINOSITOL-3-KINASE (PI3) AND INDUCERS OF NITRIC OXIDE (NO) COUNCIL SCIENT IND RES (IN) 2016-05-18 EP disclosed
EP-2385934-B1 INHIBITORS OF PHOSPHATIDYLINOSITOL-3-KINASE (PI3) AND INDUCERS OF NITRIC OXIDE (NO) COUNCIL SCIENT IND RES (IN) 2016-05-18 EP disclosed
US-9302967-B2 Substituted cathechols as inhibitors of IL-4 and IL-5 for the treatment of bronchial asthma COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-04-05 US disclosed
US-9302967-B2 Substituted cathechols as inhibitors of IL-4 and IL-5 for the treatment of bronchial asthma COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-04-05 US disclosed
US-9302967-B2 Substituted cathechols as inhibitors of IL-4 and IL-5 for the treatment of bronchial asthma COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-04-05 US disclosed
US-9290473-B2 Inhibitors of phosphatidylinositol-3-kinase (PI3) and inducers of nitric oxide (NO) COUCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-03-22 US disclosed
US-9290473-B2 Inhibitors of phosphatidylinositol-3-kinase (PI3) and inducers of nitric oxide (NO) COUCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-03-22 US disclosed
US-9290473-B2 Inhibitors of phosphatidylinositol-3-kinase (PI3) and inducers of nitric oxide (NO) COUCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-03-22 US disclosed
US-20140135393-A1 SUBSTITUTED CATHECHOLS AS INHIBITORS OF IL-4 AND IL-5 FOR THE TREATMENT BRONCHIAL ASTHMA COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-05-15 US disclosed
US-20140135393-A1 SUBSTITUTED CATHECHOLS AS INHIBITORS OF IL-4 AND IL-5 FOR THE TREATMENT BRONCHIAL ASTHMA COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-05-15 US disclosed
US-20120190738-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL-3-KINASE (PI3) AND INDUCERS OF NITRIC OXIDE (NO) COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2012-07-26 US disclosed
EP-2385934-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL-3-KINASE (PI3) AND INDUCERS OF NITRIC OXIDE (NO) Council of Scientific & Industrial Research (IN) 2011-11-16 EP disclosed
US-8041964-B2 Ultra low power wake-up circuit COVIDIEN AG (CH) 2011-10-18 US disclosed
WO-2010079423-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL-3-KINASE (PI3) AND INDUCERS OF NITRIC OXIDE (NO) COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2010-07-15 WO disclosed
WO-2010079423-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL-3-KINASE (PI3) AND INDUCERS OF NITRIC OXIDE (NO) COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2010-07-15 WO disclosed
EP-1021418-B1 SUBSTITUTED 2,3-BENZODIAZEPIN-4-ONES AND THE USE THEREOF EURO CELTIQUE SA (LU) 2004-05-19 EP disclosed
EP-1021418-A4 SUBSTITUTED 2,3-BENZODIAZEPIN-4-ONES AND THE USE THEREOF COCENSYS INC (US) 2001-06-13 EP disclosed
EP-1021418-A1 SUBSTITUTED 2,3-BENZODIAZEPIN-4-ONES AND THE USE THEREOF Cocensys, Inc. (US) 2000-07-26 EP disclosed
US-5891871-A 2-AMINO-3-(3-HYDROXY-5-METHYLISOXAZ-4-YL)PROPIONIC ACID RECEPTOR ANTAGONISTS; TREATING NEURONAL LOSS ASSOCIATED WITH STROKE, ISCHEMIA, CNS TRAUMA, HYPOGLYCEMIA OR SURGERY; OR TREATING NEURODEGENERATIVE DISEASES. COCENSYS, INC. (US) 1999-04-06 US disclosed
WO-1997034878-A1 SUBSTITUTED 2,3-BENZODIAZEPIN-4-ONES AND THE USE THEREOF COCENSYS, INC. (US) 1997-09-25 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 (2 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-20140135393-A1 SUBSTITUTED CATHECHOLS AS INHIBITORS OF IL-4 AND IL-5 FOR THE TREATMENT BRONCHIAL ASTHMA IL5, IL4, IL33 PTGS2 155/4885PTGS1 61/4885EDNRA 742/4885
US-20120190738-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL-3-KINASE (PI3) AND INDUCERS OF NITRIC OXIDE (NO) NOS2, NOS3, NOS1 PTGS2 39/4885PTGS1 27/4885EDNRA 1122/4885

“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.