SCHEMBL2171749

SCHEMBL2171749

O=C(OC(=O)C(F)(F)F)C(F)(F)F.[N]

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.33

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
Ammonia Solution, Strong SCHEMBL2171746 0.97 CA2 (0.32) CA2
SCHEMBL27623481 0.96 CA2 (0.35) CA2
SCHEMBL52 0.96 CA2 (0.35) CA2
SCHEMBL20135729 0.93 CA2 (0.33) CA2
SCHEMBL3945654 0.93 CA2 (0.33) CA2
SCHEMBL11001716 0.93 CA2 (0.33) CA2
Water SCHEMBL6513542 0.93 CA2 (0.33) CA2
Hydrochloric Acid SCHEMBL8958370 0.93 CA2 (0.33) CA2
Hydrogen Peroxide SCHEMBL2051538 0.93 CA2 (0.33) CA2
SCHEMBL3945657 0.93 CA2 (0.33) CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2348031-B9 17-Alpha-substituted-11-beta-substituted-4-aryl and 21-substituted 19-norpregnadienediones as antiprogestational agents US GOV HEALTH & HUMAN SERV (US) 2016-08-10 EP disclosed
EP-2348031-B1 17-Alpha-substituted-11-beta-substituted-4-aryl and 21-substituted 19-norpregnadienediones as antiprogestational agents US GOV HEALTH & HUMAN SERV (US) 2015-06-17 EP disclosed
US-20140107089-A1 STRUCTURAL MODIFICATION OF 19-NORPROGESTERONE I: 17-ALPHA-SUBSTITUTED-11-BETA-SUBSTITUTED-4-ARYL AND 21-SUBSTITUTED 19-NORPREGNADIENEDIONE AS NEW ANTIPROGESTATIONAL AGENTS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERV (US) 2014-04-17 US disclosed
US-8569276-B2 Structural modification of 19-norprogesterone I: 17-α-substituted-11-β-substituted-4-aryl and 21-substituted 19-norpregnadienedione as new antiprogestational agents THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2013-10-29 US disclosed
EP-2348030-A2 17-Alpha-substituted-11-beta-substituted-4-aryl and 21-substituted 19-norpregnadienedione as antiprogestational agents The Government of the United States of America as represented by the Secretary of the Department of Health and Human Services (US) 2011-07-27 EP disclosed
EP-2348031-A2 17-Alpha-substituted-11-beta-substituted-4-aryl and 21-substituted 19-norpregnadienedione as antiprogestational agents The Government of the United States of America as represented by the Secretary of the Department of Health and Human Services (US) 2011-07-27 EP disclosed
EP-2033965-A2 17-alpha-substituted-11-beta-substituted-4-aryl and 21-substituted 19-norpregnadienedione as antiprogestational agents The Government Of The United States Of America As Represented By The Secretary Of The Department Of Health And Human Services (US) 2009-03-11 EP disclosed
US-20050143365-A1 Structural modification of 19-norprogesterone I: 17-alpha-substituted-11-beta-substituted-4-aryl and 21-substituted 19-norpregnadienedione as new antiprogestational agents NATIONAL INSTITUTES OF HEALTH 2005-06-30 US disclosed
US-6900193-B1 Structural modification of 19-norprogesterone I: 17-α-substituted-11-β-substituted-4-aryl and 21-substituted 19-norpregnadienedione as new antiprogestational agents THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2005-05-31 US disclosed
EP-1265911-A2 17-ALPHA-SUBSTITUTED-11-BETA-SUBSTITUTED-4-ARYL AND 21-SUBSTITUTED 19-NORPREGNADIENEDIONE AS ANTIPROGESTATIONAL AGENTS THE GOVERNMENT OF THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2002-12-18 EP disclosed
WO-2001074840-A2 17-ALPHA-SUBSTITUTED-11-BETA-SUBSTITUTED-4-ARYL AND 21-SUBSTITUTED 19-NORPREGNA 21-SUBSTITUTED 19-NORPREGNADIENEDIONE AS ANTIPROGESTATIONAL AGENTS THE GOVERNMENT OF THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF HEALTH AND HUMAN SERVICES (US) 2001-10-11 WO disclosed
US-5231013-A Staphylococcus biosynthesis DR. KARL THOMAE GMBH (DE) 1993-07-27 US disclosed
EP-0342486-B1 ANTIBIOTIC Dr. Karl Thomae GmbH (DE) 1992-05-06 EP disclosed
EP-0342486-A1 Antibiotic Dr. Karl Thomae GmbH (DE) 1989-11-23 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 (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-20140107089-A1 STRUCTURAL MODIFICATION OF 19-NORPROGESTERONE I: 17-ALPHA-SUBSTITUTED-11-BETA-SUBSTITUTED-4-ARYL AND 21-SUBSTITUTED 19-NORPREGNADIENEDIONE AS NEW ANTIPROGESTATIONAL AGENTS CYP19A1, HSD17B11, CYP17A1 CA2 4434/4885
US-20050143365-A1 Structural modification of 19-norprogesterone I: 17-alpha-substituted-11-beta-substituted-4-aryl and 21-substituted 19-norpregnadienedione as new antiprogestational agents HSD17B11, NR5A1, CYP19A1 CA2 1550/4885

“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.