SCHEMBL4270958

SCHEMBL4270958

N#CCc1cccc(-c2cc3c(cc2F)OCC(=O)N3)c1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.49
CREBBP Q92793 1/20 0.49
NR3C2 P08235 10/20 0.42
PGR P06401 2/20 0.42
PARP1 P09874 2/20 0.41
RAF1 P04049 1/20 0.40
BRAF P15056 1/20 0.40
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
ACLY P53396 1/20 0.38

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
SCHEMBL4261573 0.79 NR3C2 (0.59) NR3C2PGRRAF1BRAFCYP11B1
SCHEMBL4258401 0.79 ACLY (0.48) NR3C2PGRRAF1BRAFCYP11B1
SCHEMBL4259454 0.77 PDE3B (0.49) NR3C2PGR
SCHEMBL4273023 0.76 PARP1 (0.56) NR3C2PARP1HTR1ADRD2
SCHEMBL4271537 0.76 NR3C2 (0.52) NR3C2PARP1RAF1BRAFDRD2
SCHEMBL13932086 0.76 NR3C2 (0.52) NR3C2PARP1RAF1BRAFDRD2
SCHEMBL4257240 0.75 NR3C2 (0.57) NR3C2PGR
SCHEMBL4264623 0.73 MMP12 (0.58) NR3C2PGRDRD2
SCHEMBL4261319 0.72 PKM (0.50) NR3C2PGRRAF1BRAF
SCHEMBL4049030 0.69 MMP12 (0.54) NR3C2PGRPARP1CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054417-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS IRM LLC (BM) 2009-02-26 US claimed
CN-101365696-A Compounds and compositions as modulators of steroid hormone nuclear receptors IRM LLC (BM) 2009-02-11 CN claimed
JP-2008508314-A 2008-03-21 JP claimed
EP-1778242-A2 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS IRM LLC (BM) 2007-05-02 EP claimed
WO-2006015259-A2 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS IRM LLC (BM) 2006-02-09 WO claimed
EP-2841471-B1 ACTIVATOR COMPOSITIONS, THEIR PREPARATION, AND THEIR USE IN CATALYSTS GRACE W R & CO (US) 2020-05-06 EP disclosed
US-20190153135-A1 Activator Compositions, Their Preparation, And Their Use In Catalysts GRACE W R & CO (US) 2019-05-23 US disclosed
US-10221264-B2 Activator compositions, their preparation, and their use in catalysts W. R. GRACE & CO.-CONN. (US) 2019-03-05 US disclosed
US-20150105238-A1 ACTIVATOR COMPOSITIONS, THEIR PREPARATION, AND THEIR USE IN CATALYSTS W. R. GRACE & CO.-CONN. 2015-04-16 US disclosed
EP-2643366-B1 ACTIVATOR COMPOSITIONS, THEIR PREPARATION, AND THEIR USE IN CATALYSIS ALBEMARLE CORP (US) 2015-03-25 EP disclosed
US-8895465-B2 Activator compositions, their preparation, and their use in catalysis ALBEMARLE CORPORATION (US) 2014-11-25 US disclosed
EP-2643366-A2 ACTIVATOR COMPOSITIONS, THEIR PREPARATION, AND THEIR USE IN CATALYSIS Albemarle Corporation (US) 2013-10-02 EP disclosed
US-6403732-B2 COORDIATION CATALSYTS OF ORGANOBORANES AND METALLOCENES FOR ADDITION POLYMERIZATION NORTHWESTERN UNIVERSITY 2002-06-11 US disclosed
US-6388114-B1 ORGANOMETALLIC COMPOUND; SOLVENT SOLUBILITY; COORDINATION POLYMERIZATION CATALYST NORTHWESTERN UNIVERSITY 2002-05-14 US disclosed
WO-2002020156-A2 STABLE CATALYSTS AND CO-CATALYST COMPOSITIONS FORMED FROM HYDROXYALUMINOXANE AND THEIR USE ALBEMARLE CORPORATION (US) 2002-03-14 WO disclosed
US-20010034424-A1 Organo-lewis acids of enhanced utility, uses thereof, and products based thereon ENERGY, UNITED STATES DEPARTMENT OF 2001-10-25 US disclosed
US-6291695-B1 AS COCATALYSTS IN USED IN POYMERIZATION REACTIONS NORTHWESTERN UNIVERSITY 2001-09-18 US disclosed
US-6262200-B1 CONTACTING OLEFINIC MONOMER OR MONOMERS WITH POLYMERIZATION CATALYST COMPLEX TO OBTAIN HOMO-OR COPOLYMER NORTHWESTERN UNIVERSITY 2001-07-17 US disclosed
US-6218332-B1 AS POLYMERIZATION COCATALYSTS NORTHWESTERN UNIVERSITY 2001-04-17 US disclosed
US-6160145-A Transition metal compounds having conjugate aluminoxate anions and their use as catalyst components ALBEMARLE CORPORATION (US) 2000-12-12 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 (1 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-20090054417-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS NR5A1, ESRRA, NR3C1 BRD4 547/4885CREBBP 113/4885NR3C2 7/4885

“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.