SCHEMBL453836

SCHEMBL453836

COc1ccc2c(C)c(CC(=O)O)ccc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C2 P52895 2/20 0.59
PTGS1 P23219 1/20 0.59
AKR1C3 P42330 1/20 0.59
HSD17B10 Q99714 2/20 0.55
KDM4E B2RXH2 3/20 0.52
LCK P06239 1/20 0.52
ALDH1A1 P00352 1/20 0.48
CYP1A2 P05177 1/20 0.48
HPGD P15428 1/20 0.48
CYP2C19 P33261 1/20 0.48
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
POLB P06746 1/20 0.46
SLC2A1 P11166 1/20 0.44
TUBB4A P04350 1/20 0.44
TUBB P07437 1/20 0.44
TUBA3C P0DPH7 1/20 0.44
TUBA1B P68363 1/20 0.44
TUBA4A P68366 1/20 0.44
TUBB4B P68371 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
Naproxen SCHEMBL5184488 0.88 AKR1C3 (0.66) AKR1C2PTGS1AKR1C3CYP1A2
SCHEMBL2169014 0.87 PTGS1 (0.47) AKR1C2PTGS1AKR1C3HSD17B10KDM4E
SCHEMBL9504259 0.87 KDM4E (0.53) AKR1C2PTGS1AKR1C3KDM4EALDH1A1
SCHEMBL2168667 0.86 AKR1C3 (0.48) AKR1C2PTGS1AKR1C3HSD17B10KDM4E
SCHEMBL11466749 0.85 PTGS1 (0.59) AKR1C2PTGS1AKR1C3HSD17B10KDM4E
SCHEMBL11600360 0.84 PTGS1 (0.57) AKR1C2PTGS1AKR1C3HSD17B10KDM4E
SCHEMBL11783844 0.84 AKR1C3 (0.57) AKR1C2PTGS1AKR1C3HSD17B10KDM4E
SCHEMBL11780198 0.84 PTGS1 (0.57) AKR1C2PTGS1AKR1C3HSD17B10KDM4E
SCHEMBL11781091 0.84 AKR1C3 (0.57) AKR1C2PTGS1AKR1C3HSD17B10KDM4E
SCHEMBL11778406 0.84 PTGS1 (0.57) AKR1C2PTGS1AKR1C3HSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10105455-B2 Fluorocoxib A loading into ROS-responsive nanoparticles VANDERBILT UNIVERSITY (US) 2018-10-23 US claimed
US-20170007723-A1 FLUOROCOXIB A LOADING INTO ROS-RESPONSIVE NANOPARTICLES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-01-12 US claimed
EP-2040699-A2 METHODS AND COMPOSITIONS FOR DIAGNOSTIC AND THERAPEUTIC TARGETING OF COX-2 Vanderbilt University Medical Center (US) 2009-04-01 EP claimed
WO-2007149456-A2 METHODS AND COMPOSITIONS FOR DIAGNOSTIC AND THERAPEUTIC TARGETING OF COX-2 VANDERBILT UNIVERSITY (US) 2007-12-27 WO claimed
US-20070292352-A1 derivatives of non-steroidal anti-inflammatory drugs that exhibit selective binding to cyclooxygenase-2 (COX-2) and that comprise functional groups allowing them to be used for medical diagnosis and/or as therapeutic agents; tissue-targeted therapy VANDERBILT UNIVERSITY (US) 2007-12-20 US claimed
EP-1148783-B1 CONVERTING COX INHIBITION COMPOUNDS THAT ARE NOT COX-2 SELECTIVE INHIBITORS TO DERIVATIVES THAT ARE COX-2 SELECTIVE INHIBITORS UNIV VANDERBILT (US) 2006-06-07 EP claimed
EP-1638612-A2 COX-2-TARGETED IMAGING AGENTS Vanderbilt University (US) 2006-03-29 EP claimed
WO-2005002293-A2 COX-2-TARGETED IMAGING AGENTS VANDERBILT UNIVERSITY (US) 2005-01-06 WO claimed
US-20050002859-A1 COX-2-targeted imaging agents VANDERBILT UNIVERSITY (US) 2005-01-06 US claimed
US-6762182-B1 FORMING ESTER OR SECONDARY AMIDE DERIVATIVE OF SUCH AS INDOMETHACIN VANDERBILT UNIVERSITY 2004-07-13 US claimed
EP-1148783-A4 CONVERTING COX INHIBITION COMPOUNDS THAT ARE NOT COX-2 SELECTIVE INHIBITORS TO DERIVATIVES THAT ARE COX-2 SELECTIVE INHIBITORS UNIV VANDERBILT (US) 2003-05-21 EP claimed
US-6399647-B2 ANTICANCER AGENTS; CYCLOOXYGENASE INHIBITOR VANDERBILT UNIVERSITY 2002-06-04 US claimed
EP-1148783-A1 CONVERTING COX INHIBITION COMPOUNDS THAT ARE NOT COX-2 SELECTIVE INHIBITORS TO DERIVATIVES THAT ARE COX-2 SELECTIVE INHIBITORS Vanderbilt University (US) 2001-10-31 EP claimed
US-20010034361-A1 Amide derivatives for antiangiogenic and/or antitumorigenic use NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2001-10-25 US claimed
EP-1146788-A1 AMIDE DERIVATIVES FOR ANTIANGIOGENIC AND/OR ANTITUMORIGENIC USE Vanderbilt University (US) 2001-10-24 EP claimed
WO-2000040088-A1 AMIDE DERIVATIVES FOR ANTIANGIOGENIC AND/OR ANTITUMORIGENIC USE VANDERBILT UNIVERSITY (US) 2000-07-13 WO claimed
WO-2000040087-A1 CONVERTING COX INHIBITION COMPOUNDS THAT ARE NOT COX-2 SELECTIVE INHIBITORS TO DERIVATIVES THAT ARE COX-2 SELECTIVE INHIBITORS VANDERBILT UNIVERSITY (US) 2000-07-13 WO claimed
EP-0805793-A1 PREPARATION OF OPTICALLY ACTIVE ALIPHATIC CARBOXYLIC ACIDS ALBEMARLE CORPORATION (US) 1997-11-12 EP claimed
WO-1997013519-A1 ESTERS OF CYCLOOXYGENASE INHIBITORS AND TERPENE DERIVATIVES AS PHARMACEUTICAL PRODUCTS RUSSINSKY LIMITED (IE) 1997-04-17 WO claimed
WO-1996022959-A1 PREPARATION OF OPTICALLY ACTIVE ALIPHATIC CARBOXYLIC ACIDS ALBEMARLE CORPORATION (US) 1996-08-01 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-20010034361-A1 Amide derivatives for antiangiogenic and/or antitumorigenic use PTGS1, PTGS2, HPGDS AKR1C2 1581/4885PTGS1 1/4885AKR1C3 1538/4885
US-20050002859-A1 COX-2-targeted imaging agents PTGS2, PTGES2, PTGER2 AKR1C2 2409/4885PTGS1 5/4885AKR1C3 1610/4885
US-20170007723-A1 FLUOROCOXIB A LOADING INTO ROS-RESPONSIVE NANOPARTICLES ROS1, CYBB, NOXO1 AKR1C2 1036/4885PTGS1 16/4885AKR1C3 1125/4885
US-10105455-B2 Fluorocoxib A loading into ROS-responsive nanoparticles ROS1, CYBB, NOXO1 AKR1C2 1036/4885PTGS1 16/4885AKR1C3 1125/4885
US-20070292352-A1 derivatives of non-steroidal anti-inflammatory drugs that exhibit selective binding to cyclooxygenase-2 (COX-2) and that comprise functional groups allowing them to be used for medical diagnosis and/or as therapeutic agents; tissue-targeted therapy PTGES2, PTGS2, PTGER2 AKR1C2 1702/4885PTGS1 4/4885AKR1C3 1310/4885

“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.