SCHEMBL6986508

SCHEMBL6986508

CC(=O)O[C@]1(C(=O)CO)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C

nearest known ligand 0.83

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 17/20 0.83
MMP1 P03956 16/20 0.83
PGR P06401 3/20 0.82
CYP3A4 P08684 2/20 0.82
MEN1 O00255 1/20 0.82
USP2 O75604 1/20 0.82
KMT2A Q03164 1/20 0.82
HIF1A Q16665 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
SCHEMBL11812693 1.00 NR3C1 (0.83) NR3C1MMP1PGRCYP3A4MEN1
SCHEMBL7547 1.00 NR3C1 (0.83) NR3C1MMP1PGRCYP3A4MEN1
SCHEMBL147590 0.99 NR3C1 (0.82) NR3C1MMP1PGRCYP3A4MEN1
SCHEMBL1265487 0.99 NR3C1 (0.82) NR3C1MMP1PGRCYP3A4MEN1
Dexamethasone SCHEMBL3681477 0.95 NR3C1 (0.84) NR3C1MMP1PGRCYP3A4MEN1
SCHEMBL16094588 0.93 NR3C1 (0.81) NR3C1MMP1PGRCYP3A4MEN1
SCHEMBL11582615 0.93 NR3C1 (0.74) NR3C1MMP1PGRCYP3A4MEN1
SCHEMBL11583661 0.93 NR3C1 (0.75) NR3C1MMP1PGRCYP3A4MEN1
SCHEMBL11582612 0.93 NR3C1 (0.74) NR3C1MMP1PGRCYP3A4MEN1
SCHEMBL11582295 0.93 NR3C1 (0.74) NR3C1MMP1PGRCYP3A4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1330448-A2 1,3-BIS-(SUBSTITUTED-PHENYL)-2-PROPEN-1-ONES AND THEIR USE TO TREAT VCAM-1 MEDIATED DISORDERS Atherogenics, Inc. (US) 2003-07-30 EP claimed
WO-2001098291-A2 1,3-BIS-(SUBSTITUTED-PHENYL)-2-PROPEN-1-ONES AND THEIR USE TO TREAT VCAM-1 MEDIATED DISORDERS ATHEROGENICS, INC. (US) 2001-12-27 WO claimed
EP-0259983-A2 The use of corticosteroids for amelioration or elimination of postoperative pain Cary Jr., George R. (US) 1988-03-16 EP claimed
US-20160272635-A1 SUBSTITUTED DIHYDROPYRIDO[3,4-B]PYRAZINONES AS DUAL INHIBITORS OF BET PROTEINS AND POLO-LIKE KINASES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-09-22 US disclosed
US-20160193206-A1 BET-PROTEIN-INHIBITING DIHYDROPYRIDOPYRAZINONES Bayer Pharma AG (DE) 2016-07-07 US disclosed
US-20160176867-A1 MODIFIED BET-PROTEIN-INHIBITING DIHYDROQUINOXALINONES AND DIHYDROPYRIDOPYRAZINONES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-06-23 US disclosed
US-20160129011-A1 BICYCLO 2,3-BENZODIAZEPINES AND SPIROCYCLICALLY SUBSTITUTED 2,3-BENZODIAZEPINES Bayer Pharma AG (DE) 2016-05-12 US disclosed
US-20160009725-A1 PYRROLO- AND PYRAZOLO-TRIAZOLODIAZEPINES AS BET-PROTEIN INHIBITORS FOR TREATING HYPERPROLIFERATIVE DISEASES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-01-14 US disclosed
US-20150376196-A1 4-SUBSTITUTED PYRROLO- AND PYRAZOLO-DIAZEPINES Bayer Pharma AG (DE) 2015-12-31 US disclosed
US-9212140-B2 (5s,8s)-3-(4′-chlor-3′-fluor-4-methlybiphenyl-3-yl)-4-hydroxy-8-methoxy-1-azaspiro[4.5] dec-3-en-2-one (compound A) for treatment BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-12-15 US disclosed
US-20150344444-A1 BET-PROTEIN-INHIBITING DIHYDROXYQUINOXALINONES Bayer Pharma AG (DE) 2015-12-03 US disclosed
US-20140031407-A1 (5S,8S)-3-(4'-CHLOR-3'-FLUOR-4-METHLYBIPHENYL-3-YL)-4-HYDROXY-8-METHOXY-1-AZASPIRO[4.5]DEC-3-EN-2-ONE (COMPOUND A) FOR TREATMENT BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-01-30 US disclosed
US-20130210846-A1 USE OF NOVEL PAN-CDK INHIBITORS FOR TREATING TUMORS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-08-15 US disclosed
US-20130040935-A1 CYCLIC KETO-ENOLS FOR THERAPY BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-02-14 US disclosed
EP-0259983-B1 The use of corticosteroids for amelioration or elimination of postoperative pain CARY GEORGE R JR (US) 1995-02-15 EP disclosed
US-5272139-A Amelioration or elimination of postoperative pain CARY GEORGE R JR (US) 1993-12-21 US disclosed
EP-0259983-A2 The use of corticosteroids for amelioration or elimination of postoperative pain Cary Jr., George R. (US) 1988-03-16 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 (10 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-20130040935-A1 CYCLIC KETO-ENOLS FOR THERAPY AKR1B1, AKR1C3, AKR1A1 NR3C1 152/4885MMP1 4826/4885PGR 305/4885
US-20150344444-A1 BET-PROTEIN-INHIBITING DIHYDROXYQUINOXALINONES BRD4, BET1, BRDT NR3C1 2024/4885MMP1 3530/4885PGR 1579/4885
US-20160193206-A1 BET-PROTEIN-INHIBITING DIHYDROPYRIDOPYRAZINONES BRD4, BET1, BRDT NR3C1 1464/4885MMP1 3495/4885PGR 1078/4885
US-20160176867-A1 MODIFIED BET-PROTEIN-INHIBITING DIHYDROQUINOXALINONES AND DIHYDROPYRIDOPYRAZINONES BRD4, BRDT, BET1 NR3C1 2118/4885MMP1 3587/4885PGR 1352/4885
US-20160129011-A1 BICYCLO 2,3-BENZODIAZEPINES AND SPIROCYCLICALLY SUBSTITUTED 2,3-BENZODIAZEPINES BRD4, BRDT, BICRA NR3C1 136/4885MMP1 4560/4885PGR 965/4885
US-20160272635-A1 SUBSTITUTED DIHYDROPYRIDO[3,4-B]PYRAZINONES AS DUAL INHIBITORS OF BET PROTEINS AND POLO-LIKE KINASES PLK3, PLK2, PLK4 NR3C1 2092/4885MMP1 3114/4885PGR 666/4885
US-20160009725-A1 PYRROLO- AND PYRAZOLO-TRIAZOLODIAZEPINES AS BET-PROTEIN INHIBITORS FOR TREATING HYPERPROLIFERATIVE DISEASES BRDT, BRD3, BRD1 NR3C1 652/4885MMP1 4468/4885PGR 1003/4885
US-20140031407-A1 (5S,8S)-3-(4'-CHLOR-3'-FLUOR-4-METHLYBIPHENYL-3-YL)-4-HYDROXY-8-METHOXY-1-AZASPIRO[4.5]DEC-3-EN-2-ONE (COMPOUND A) FOR TREATMENT AZI2, CYP8B1, VHL NR3C1 64/4885MMP1 3366/4885PGR 1971/4885
US-20130210846-A1 USE OF NOVEL PAN-CDK INHIBITORS FOR TREATING TUMORS CDK3, CDKL1, CDK4 NR3C1 2176/4885MMP1 4123/4885PGR 1063/4885
US-20150376196-A1 4-SUBSTITUTED PYRROLO- AND PYRAZOLO-DIAZEPINES BRDT, BRD4, BRD3 NR3C1 260/4885MMP1 4512/4885PGR 750/4885

“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.