SCHEMBL25554

SCHEMBL25554

COc1ccc(C(N)C(O)c2ccc(OC)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.50
CYP2D6 P10635 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C19 P33261 1/20 0.48
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
MAPK1 P28482 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
NOS3 P29474 2/20 0.44
HTR3E A5X5Y0 1/20 0.44
HTR3B O95264 1/20 0.44
HTR3A P46098 1/20 0.44
HTR3D Q70Z44 1/20 0.44
HTR3C Q8WXA8 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL30620666 1.00 AOC3 (0.50) AOC3CYP2D6CYP1A2CYP2C19CA12
Hydrochloric Acid SCHEMBL30703159 0.98 AOC3 (0.49) AOC3CYP2D6CYP1A2CYP2C19CA12
SCHEMBL6442693 0.93 ACP3 (0.53) AOC3ALDH1A1L3MBTL1ADRA2ASLC6A4
SCHEMBL2530652 0.89 CYP17A1 (0.50) AOC3CYP2D6CYP1A2CYP2C19TDP1
SCHEMBL3695690 0.84 CA1 (0.58) AOC3CYP2D6CYP1A2CYP2C19CA12
SCHEMBL1900477 0.84 CA1 (0.58) AOC3CYP2D6CYP1A2CYP2C19CA12
SCHEMBL591062 0.84 CA1 (0.58) AOC3CYP2D6CYP1A2CYP2C19CA12
SCHEMBL1305495 0.84 CA1 (0.58) AOC3CYP2D6CYP1A2CYP2C19CA12
SCHEMBL1900910 0.84 CA1 (0.58) AOC3CYP2D6CYP1A2CYP2C19CA12
SCHEMBL11938484 0.84 CA1 (0.58) AOC3CYP2D6CYP1A2CYP2C19CA12

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 1110 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2560634-A1 NITRIC OXIDE RELEASING PRODRUGS OF THERAPEUTIC AGENTS Piramal Enterprises Limited (IN) 2013-02-27 EP claimed
US-20120063996-A1 NOVEL NIMESULIDE COMPOSITIONS ELAN PHARMA INTERNATIONAL LTD. 2012-03-15 US claimed
WO-2011132171-A1 NITRIC OXIDE RELEASING PRODRUGS OF THERAPEUTIC AGENTS PIRAMAL LIFE SCIENCES LIMITED (IN) 2011-10-27 WO claimed
US-20110263526-A1 Nitric Oxide Releasing Prodrugs of Therapeutic Agents PIRAMAL LIFE SCIENCES LIMITED (IN) 2011-10-27 US claimed
EP-1617816-B1 NANOPARTICULATE MELOXICAN FORMULATIONS ELAN PHARMA INT LTD (IE) 2009-05-13 EP claimed
EP-1938803-A2 Formulations comprising nanoparticulate meloxican Elan Pharma International Limited (IE) 2008-07-02 EP claimed
EP-1480624-B1 PHARMACEUTICAL TABLET PHARMACIA CORP (US) 2006-11-29 EP claimed
EP-1471890-B1 PHARMACEUTICAL DOSAGE FORM FOR MUCOSAL DELIVERY PHARMACIA CORP (US) 2006-09-27 EP claimed
EP-1608407-B1 DISPERSIBLE FORMULATION OF AN ANTI-INFLAMMATORY AGENT PHARMACIA CORP (US) 2006-08-30 EP claimed
CN-1267087-C Pharmaceutical tablet PHARMACIA CORP (US) 2006-08-02 CN claimed
WO-2004082719-A1 DISPERSIBLE PHARMACEUTICAL COMPOSITION FOR TREATMENT OF MASTITIS AND OTIC DISORDERS PHARMACIA CORPORATION (US) 2004-09-30 WO claimed
US-20040156872-A1 Novel nimesulide compositions ELAN PHARMA INTERNATIONAL LTD. 2004-08-12 US claimed
US-20030235617-A1 Pharmaceutical dosage form for mucosal delivery MCNEIL-PPC, INC 2003-12-25 US claimed
US-20030180357-A1 Pharmaceutical tablet MCNEIL-PPC, INC 2003-09-25 US claimed
EP-1336602-A1 Nitrate prodrugs able to release nitric oxide in a controlled and selective way and their use for prevention and treatment of inflammatory, ischemic and proliferative diseases Scaramuzzino, Giovanni (IT) 2003-08-20 EP claimed
WO-2003066030-A2 PHARMACEUTICAL TABLET PHARMACIA CORPORATION (US) 2003-08-14 WO claimed
WO-2003066029-A2 PHARMACEUTICAL DOSAGE FORM FOR MUCOSAL DELIVERY PHARMACIA CORPORATION (US) 2003-08-14 WO claimed
CN-1294519-A Pharmaceutical composition containing a compound having an activity of promoting the absorption of an active ingredient INPHARMA SA (CH) 2001-05-09 CN claimed
EP-1073470-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING COMPOUNDS WITH ACTIVITY FOR THE ENHANCEMENT OF ABSORPTION OF ACTIVE INGREDIENTS INPHARMA S.A. (CH) 2001-02-07 EP claimed
WO-2000048636-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING COMPOUNDS WITH ACTIVITY FOR THE ENHANCEMENT OF ABSORPTION OF ACTIVE INGREDIENTS INPHARMA S.A. (CH) 2000-08-24 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20040156872-A1 Novel nimesulide compositions NIM1K, NIT2, NCL AOC3 934/4885CYP2D6 1359/4885CYP1A2 3009/4885
US-20030180357-A1 Pharmaceutical tablet GYPA, SORD, SRI AOC3 2915/4885CYP2D6 252/4885CYP1A2 1609/4885
US-20120063996-A1 NOVEL NIMESULIDE COMPOSITIONS NIM1K, NIT2, NCL AOC3 934/4885CYP2D6 1359/4885CYP1A2 3009/4885
US-20110263526-A1 Nitric Oxide Releasing Prodrugs of Therapeutic Agents NOS2, NOS1, NOS3 AOC3 395/4885CYP2D6 44/4885CYP1A2 39/4885
US-20030235617-A1 Pharmaceutical dosage form for mucosal delivery SI, UGGT1, GYPA AOC3 2748/4885CYP2D6 68/4885CYP1A2 588/4885

“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.