SCHEMBL13777302

SCHEMBL13777302

COc1ccc2c(c1)c(CC(C)C)c(C)n2C(=O)c1ccc(Cl)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 14/20 0.75
PTGS1 P23219 4/20 0.75
AKR1C3 P42330 3/20 0.75
AKR1C2 P52895 2/20 0.75
KDM4E B2RXH2 1/20 0.75
MEN1 O00255 1/20 0.75
PTGES O14684 1/20 0.75
ABCC3 O15438 1/20 0.75
ABCC4 O15439 1/20 0.75
ABCB11 O95342 1/20 0.75
MT-CO2 P00403 1/20 0.75
LMNA P02545 1/20 0.75
ALB P02768 1/20 0.75
CYP1A2 P05177 1/20 0.75
ABCB1 P08183 1/20 0.75
ALOX5 P09917 1/20 0.75
ADORA3 P0DMS8 1/20 0.75
CXCL8 P10145 1/20 0.75
AR P10275 1/20 0.75
CYP2D6 P10635 1/20 0.75

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
SCHEMBL26193858 0.93 PTGS2 (0.75) PTGS2PTGS1AKR1C3AKR1C2KDM4E
SCHEMBL20143895 0.91 PTGS2 (0.75) PTGS2PTGS1AKR1C3AKR1C2KDM4E
SCHEMBL13777329 0.91 AKR1C3 (0.74) PTGS2PTGS1AKR1C3AKR1C2KDM4E
SCHEMBL4538035 0.88 PTGS1 (0.83) PTGS2PTGS1AKR1C3AKR1C2KDM4E
SCHEMBL860853 0.88 PTGS2 (0.80) PTGS2PTGS1AKR1C3AKR1C2KDM4E
SCHEMBL21562585 0.87 PTGS2 (0.79) PTGS2PTGS1AKR1C3AKR1C2KDM4E
SCHEMBL24554796 0.87 PTGS1 (0.69) PTGS2PTGS1AKR1C3AKR1C2KDM4E
Indomethacin SCHEMBL8702320 0.87 PTGS2 (0.80) PTGS2PTGS1AKR1C3AKR1C2KDM4E
SCHEMBL17385262 0.87 PTGS2 (0.78) PTGS2PTGS1AKR1C3AKR1C2KDM4E
SCHEMBL13653012 0.87 PTGS2 (0.80) PTGS2PTGS1AKR1C3AKR1C2KDM4E

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021158781-A1 METHODS FOR PRACTICAL SYNTHESIS OF DEUTERATED AMINO ACIDS ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2021-08-12 WO disclosed
US-9920063-B2 Melampomagnolide B derivatives BIOVENTURES, LLC (US) 2018-03-20 US disclosed
US-9920063-B2 Melampomagnolide B derivatives BIOVENTURES, LLC (US) 2018-03-20 US disclosed
US-20160368928-A1 MELAMPOMAGNOLIDE B DERIVATIVES BIOVENTURES, LLC 2016-12-22 US disclosed
US-9487536-B2 Melampomagnolide B derivatives BOARD OF TRUSTEES OF THE UNIVERSITY OF ARKANSAS (US) 2016-11-08 US disclosed
US-20150203508-A1 MELAMPOMAGNOLIDE B DERIVATIVES BIOVENTURES, LLC 2015-07-23 US disclosed
US-8633177-B2 Nitroxyl (HNO) releasing compounds and uses thereof in treating diseases THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2014-01-21 US disclosed
US-20130065863-A1 NITROXYL (HNO) RELEASING COMPOUNDS AND USES THEREOF IN TREATING DISEASES THE ARIZONA BOARD OF REGENTS, ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2013-03-14 US disclosed
US-20090170934-A1 MANUFACTURING PROCESS FOR NO-DONATING COMPOUNDS SUCH AS NO-DONATING DICLOFENAC NICOX SA 2009-07-02 US disclosed
US-7544711-B2 Use of nitroderivatives in urinary incontinence NICOX S.A. (FR) 2009-06-09 US disclosed
US-20090096314-A1 ELECTRIC MOTOR HONDA MOTOR CO., LTD. (JP) 2009-04-16 US disclosed
US-20070010458-A1 Drugs for the arthritis treatment NICOX S.A. (FR) 2007-01-11 US disclosed
US-20070010458-A1 Drugs for the arthritis treatment NICOX S.A. (FR) 2007-01-11 US 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 (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-20150203508-A1 MELAMPOMAGNOLIDE B DERIVATIVES CMBL, MGMT, MMAB PTGS2 2584/4885PTGS1 2480/4885AKR1C3 3607/4885
US-20160368928-A1 MELAMPOMAGNOLIDE B DERIVATIVES CMBL, MGMT, MMAB PTGS2 2584/4885PTGS1 2480/4885AKR1C3 3607/4885
US-20130065863-A1 NITROXYL (HNO) RELEASING COMPOUNDS AND USES THEREOF IN TREATING DISEASES OPRL1, NOS2, NOS1 PTGS2 52/4885PTGS1 25/4885AKR1C3 145/4885
US-20070010458-A1 Drugs for the arthritis treatment PTGS1, ADORA2B, PTGS2 PTGS2 3/4885PTGS1 1/4885AKR1C3 177/4885
US-20090170934-A1 MANUFACTURING PROCESS FOR NO-DONATING COMPOUNDS SUCH AS NO-DONATING DICLOFENAC NOS2, NOS1, NOS3 PTGS2 30/4885PTGS1 28/4885AKR1C3 39/4885

“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.