SCHEMBL4693877

SCHEMBL4693877

CC(C)(C)OC(=O)CC1(S)C2CC3CC(C2)CC1C3

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.39
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD11B1 P28845 8/20 0.34
NR1H2 P55055 1/20 0.34
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
CYP2C9 P11712 1/20 0.32
LMNA P02545 1/20 0.31
EPHX1 P07099 1/20 0.30

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
SCHEMBL5676291 0.75 EPHX2 (0.34) EPHX2MEN1MAPK1KMT2A
SCHEMBL134689 0.75 ALDH1A1 (0.50) EPHX2MEN1MAPK1KMT2AHSD11B1
SCHEMBL2960096 0.74 HSD11B1 (0.53) MEN1KMT2AHSD11B1
SCHEMBL5435228 0.74 MAPK1 (0.41) EPHX2MEN1MAPK1KMT2AHSD11B1
SCHEMBL5677065 0.73 HSD11B1 (0.33) MEN1KMT2AHSD11B1
SCHEMBL14466039 0.73 EPHX2 (0.33) EPHX2MEN1MAPK1KMT2A
SCHEMBL14272254 0.73 EPHX2 (0.33) EPHX2MEN1MAPK1KMT2A
SCHEMBL133579 0.72 ALDH1A1 (0.54) EPHX2MEN1KMT2A
SCHEMBL5439376 0.72 EPHX2 (0.36) EPHX2MEN1MAPK1KMT2A
SCHEMBL5677330 0.72 HSD11B1 (0.46) MEN1KMT2AHSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1109542-A4 NITROSATED AND NITROSYLATED ALPHA-ADRENERGIC RECEPTOR ANTAGONISTS, COMPOSITIONS AND METHODS OF USE NITROMED INC (US) 2008-03-26 EP disclosed
US-7256205-B2 Nitrosated and nitrosylated H2 receptor antagonist compounds, compositions and methods of use NITROMED, INC. (US) 2007-08-14 US disclosed
US-20070004788-A1 Nitrosated and nitrosylated H2 receptor antagonist compounds, compositions and methods of use NITROMED, INC. (US) 2007-01-04 US disclosed
US-7129251-B2 Nitrosated and nitrosylated H2 receptor antagonist compounds, compositions and methods of use NITROMED, INC. (US) 2006-10-31 US disclosed
EP-1497268-A4 NITRIC OXIDE DONORS, COMPOSITIONS AND METHODS OF USE NITROMED INC (US) 2006-01-18 EP disclosed
US-20050250758-A1 Nitrosated and nitrosylated H2 receptor antagonist compounds, compositions and methods of use NITROMED, INC. (US) 2005-11-10 US disclosed
EP-1140066-A4 NITROSATED AND NITROSYLATED H2 RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED INC (US) 2005-11-09 EP disclosed
US-6936627-B2 Nitrosated and nitrosylated H2 receptor antagonist compounds, compositions and methods of use NITROMED, INC. (US) 2005-08-30 US disclosed
US-20050187222-A1 Nitrosated and nitrosylated alpha-adrenergic receptor antagonist compounds NITROMED, INC. (US) 2005-08-25 US disclosed
EP-1497268-A2 NITRIC OXIDE DONORS, COMPOSITIONS AND METHODS OF USE Nitromed, Inc. (US) 2005-01-19 EP disclosed
WO-2003086282-A2 NITRIC OXIDE DONORS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2003-10-23 WO disclosed
US-6552047-B2 For therapy and prophylaxis of gastrointestinal disorders; inflammations, viral infections, multiple sclerosis; decreasing the recurrence of ulcers; facilitating ulcer healing NITROMED, INC. 2003-04-22 US disclosed
US-20030060492-A1 Nitrosated and nitrosylated H2 receptor antagonist compounds, compositions and methods of use CHIA-EN LIN. 2003-03-27 US disclosed
US-6469065-B1 COMPOUND THAT DONATES, TRANSFERS OR RELEASES NITRIC OXIDE, ELEVATES ENDOGENOUS LEVELS OF NITRIC OXIDE NITROMED, INC. 2002-10-22 US disclosed
US-20020143007-A1 Nitrosated and nitrosylated alpha-adrenergic receptor antagonists, compositions and methods of use GARVEY DAVID S (US) 2002-10-03 US disclosed
US-20020077343-A1 H2 RECEPTOR ANTAGONIST COMPOUNDS IN COMBINATION WITH NITRIC OXIDE DONORS, COMPOSTIONS AND METHODS OF USE NICOX S.A. (FR) 2002-06-20 US disclosed
EP-1140066-A1 NITROSATED AND NITROSYLATED H2 RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS AND METHODS OF USE Nitromed, Inc. (US) 2001-10-10 EP disclosed
EP-1109542-A1 NITROSATED AND NITROSYLATED ALPHA-ADRENERGIC RECEPTOR ANTAGONISTS, COMPOSITIONS AND METHODS OF USE Nitromed, Inc. (US) 2001-06-27 EP disclosed
WO-2000028988-A1 NITROSATED AND NITROSYLATED H2 RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2000-05-25 WO disclosed
WO-2000012075-A1 NITROSATED AND NITROSYLATED ALPHA-ADRENERGIC RECEPTOR ANTAGONISTS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2000-03-09 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 (6 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-20050187222-A1 Nitrosated and nitrosylated alpha-adrenergic receptor antagonist compounds ADRB1, ADRB3, ADRA1D EPHX2 1889/4885MEN1 3376/4885MAPK1 1410/4885
US-20020143007-A1 Nitrosated and nitrosylated alpha-adrenergic receptor antagonists, compositions and methods of use ADRB1, ADRB3, ADRA1D EPHX2 2015/4885MEN1 3390/4885MAPK1 1614/4885
US-20070004788-A1 Nitrosated and nitrosylated H2 receptor antagonist compounds, compositions and methods of use HRH2, NOS2, NOS1 EPHX2 933/4885MEN1 1785/4885MAPK1 1911/4885
US-20050250758-A1 Nitrosated and nitrosylated H2 receptor antagonist compounds, compositions and methods of use HRH2, NOS2, NOS1 EPHX2 933/4885MEN1 1785/4885MAPK1 1911/4885
US-20030060492-A1 Nitrosated and nitrosylated H2 receptor antagonist compounds, compositions and methods of use HRH2, NOS2, HRH1 EPHX2 669/4885MEN1 1705/4885MAPK1 2225/4885
US-20020077343-A1 H2 RECEPTOR ANTAGONIST COMPOUNDS IN COMBINATION WITH NITRIC OXIDE DONORS, COMPOSTIONS AND METHODS OF USE HRH2, HCAR2, NOS2 EPHX2 875/4885MEN1 3136/4885MAPK1 2343/4885

“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.