SCHEMBL2960096

SCHEMBL2960096

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

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 18/20 0.53
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
POLB P06746 1/20 0.39

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
Trifluoroacetic Acid SCHEMBL5677061 0.89 HSD11B1 (0.45) HSD11B1MEN1KMT2A
SCHEMBL5677330 0.81 HSD11B1 (0.46) HSD11B1MEN1KMT2A
SCHEMBL5680367 0.76 GAA (0.51) HSD11B1MEN1KMT2A
SCHEMBL18135490 0.76 HSD11B1 (0.55) HSD11B1MEN1KMT2APOLB
SCHEMBL4693877 0.74 EPHX2 (0.39) HSD11B1MEN1KMT2A
SCHEMBL5675925 0.72 ALDH1A1 (0.53) HSD11B1MEN1KMT2A
SCHEMBL5677065 0.71 HSD11B1 (0.33) HSD11B1MEN1KMT2A
SCHEMBL7865257 0.71 HSD11B1 (0.56) HSD11B1MEN1KMT2APOLB
SCHEMBL14459065 0.71 HSD11B1 (0.56) HSD11B1MEN1KMT2APOLB
SCHEMBL8097478 0.70 HSD11B1 (0.48) HSD11B1MEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7772278-B2 Nitrosated and nitrosylated prostaglandins, compositions and methods of use NITROMED, INC. (US) 2010-08-10 US disclosed
US-20090088366-A1 NITROSATED AND NITROSYLATED PROSTAGLANDINS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2009-04-02 US disclosed
US-7449595-B2 for treating or preventing sexual dysfunctions in males and females, for enhancing sexual responses in males and females, and for treating or preventing cerebrovascular disorders, cardiovascular disorders, benign prostatic hyperplasia (BPH), glaucoma, peptic ulcers or for inducing abortions NITROMED, INC. (US) 2008-11-11 US disclosed
EP-1109542-A4 NITROSATED AND NITROSYLATED ALPHA-ADRENERGIC RECEPTOR ANTAGONISTS, COMPOSITIONS AND METHODS OF USE NITROMED INC (US) 2008-03-26 EP disclosed
US-7332505-B2 Nitrosated and nitrosylated proton pump inhibitors, compositions and methods of use NITROMED, INC. (US) 2008-02-19 US 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-20070112067-A1 Nitrosated and nitrosylated prostaglandins, compositions and methods of use NITROMED, INC. (US) 2007-05-17 US disclosed
US-7176238-B1 Nitrostated and nitrosylated prostaglandins, compositions and methods of use NITROMED INC. (US) 2007-02-13 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
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-1154771-A1 NITROSATED AND NITROSYLATED PROTON PUMP INHIBITORS, COMPOSITIONS AND METHODS OF USE Nitromed, Inc. (US) 2001-11-21 EP 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-2000051978-A1 NITROSATED AND NITROSYLATED PROSTAGLANDINS, COMPOSITIONS AND METODS OF USE NITROMED, INC. (US) 2000-09-08 WO disclosed
WO-2000050037-A1 NITROSATED AND NITROSYLATED PROTON PUMP INHIBITORS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2000-08-31 WO 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 (5 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-20090088366-A1 NITROSATED AND NITROSYLATED PROSTAGLANDINS, COMPOSITIONS AND METHODS OF USE PTGIS, PGF, PTGS1 HSD11B1 122/4885MEN1 2185/4885KMT2A 4773/4885
US-20020143007-A1 Nitrosated and nitrosylated alpha-adrenergic receptor antagonists, compositions and methods of use ADRB1, ADRB3, ADRA1D HSD11B1 941/4885MEN1 3390/4885KMT2A 3878/4885
US-20070004788-A1 Nitrosated and nitrosylated H2 receptor antagonist compounds, compositions and methods of use HRH2, NOS2, NOS1 HSD11B1 2962/4885MEN1 1785/4885KMT2A 3669/4885
US-20020077343-A1 H2 RECEPTOR ANTAGONIST COMPOUNDS IN COMBINATION WITH NITRIC OXIDE DONORS, COMPOSTIONS AND METHODS OF USE HRH2, HCAR2, NOS2 HSD11B1 3038/4885MEN1 3136/4885KMT2A 3159/4885
US-20070112067-A1 Nitrosated and nitrosylated prostaglandins, compositions and methods of use PTGIS, PGF, PTGS1 HSD11B1 122/4885MEN1 2185/4885KMT2A 4773/4885

“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.