Diflucortolone 21-Valerate

Diflucortolone 21-Valerate

SCHEMBL162594

CCCCC(=O)OCC(=O)[C@H]1[C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C.[Zn]

nearest known ligand 0.72

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PGR P06401 8/20 0.72
NR1I2 O75469 3/20 0.72
HTR2B P41595 1/20 0.72
AR P10275 7/20 0.62
HIF1A Q16665 7/20 0.62
CYP3A4 P08684 5/20 0.62
ADORA3 P0DMS8 3/20 0.62
LMNA P02545 2/20 0.54
NPSR1 Q6W5P4 1/20 0.54
NR3C1 P04150 9/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
ALDH1A1 P00352 2/20 0.52
CYP1A2 P05177 1/20 0.52
NR3C2 P08235 1/20 0.52
CHRM1 P11229 2/20 0.52
ABCB11 O95342 2/20 0.52
ADRA1A P35348 1/20 0.52
MAPT P10636 1/20 0.51
RAB9A P51151 1/20 0.51

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
Diflucortolone 21-Valerate SCHEMBL3015 0.99 PGR (0.73) PGRNR1I2HTR2BARHIF1A
Diflucortolone 21-Valerate SCHEMBL13157 0.99 PGR (0.73) PGRNR1I2HTR2BARHIF1A
Diflucortolone 21-Valerate SCHEMBL13158 0.99 PGR (0.73) PGRNR1I2HTR2BARHIF1A
Diflucortolone 21-Valerate SCHEMBL9388448 0.99 PGR (0.73) PGRNR1I2HTR2BARHIF1A
Diflucortolone 21-Valerate SCHEMBL11243011 0.99 PGR (0.73) PGRNR1I2HTR2BARHIF1A
Diflucortolone 21-Valerate SCHEMBL2790985 0.99 PGR (0.73) PGRNR1I2HTR2BARHIF1A
Diflucortolone 21-Valerate SCHEMBL1021717 0.99 PGR (0.73) PGRNR1I2HTR2BARHIF1A
Diflucortolone 21-Valerate SCHEMBL18113135 0.98 PGR (0.72) PGRNR1I2HTR2BARHIF1A
Diflucortolone 21-Valerate SCHEMBL2353254 0.98 PGR (0.72) PGRNR1I2HTR2BARHIF1A
Diflucortolone 21-Valerate SCHEMBL15312089 0.98 PGR (0.72) PGRNR1I2HTR2BARHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3119394-B1 COMPOSITIONS AND METHODS COMPRISING 2-(ACYLAMINO)IMIDAZOLES CURZA GLOBAL LLC (US) 2021-05-12 EP disclosed
US-10493061-B2 Compositions and methods comprising 2-(acylamino)imidazoles CURZA GLOBAL, LLC (US) 2019-12-03 US disclosed
US-20190209716-A1 PET IMAGING OF ZINC TRANSPORT MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH 2019-07-11 US disclosed
US-10279054-B2 Pet imaging of zinc transport MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2019-05-07 US disclosed
US-20170100375-A1 COMPOSITIONS AND METHODS COMPRISING 2-(ACYLAMINO)IMIDAZOLES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-04-13 US disclosed
EP-3119394-A2 COMPOSITIONS AND METHODS COMPRISING 2-(ACYLAMINO)IMIDAZOLES Curza Global LLC (US) 2017-01-25 EP disclosed
US-20160175465-A1 PET IMAGING OF ZINC TRANSPORT UNITED STATES DEPARTMENT OF ENERGY 2016-06-23 US disclosed
US-20160115543-A1 Neurosurgical Genomics NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-04-28 US disclosed
WO-2015143240-A2 COMPOSITIONS AND METHODS COMPRISING 2-(ACYLAMINO)IMIDAZOLES CURZA GLOBAL, LLC (US) 2015-09-24 WO disclosed
WO-2015006453-A2 PET IMAGING OF ZINC TRANSPORT MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2015-01-15 WO disclosed
WO-2014194108-A1 NEUROSURGICAL GENOMICS ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2014-12-04 WO disclosed
WO-2012027794-A2 METHOD OF TREATMENT AND AGENTS USEFUL FOR SAME THE MENTAL HEALTH RESEARCH INSTITUTE OF VICTORIA (AU) 2012-03-08 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-10493061-B2 Compositions and methods comprising 2-(acylamino)imidazoles AADAC, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HDAC6 PGR 3868/4885NR1I2 3782/4885HTR2B 2172/4885
US-20170100375-A1 COMPOSITIONS AND METHODS COMPRISING 2-(ACYLAMINO)IMIDAZOLES AADAC, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HDAC6 PGR 3868/4885NR1I2 3782/4885HTR2B 2172/4885

“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.