SCHEMBL5677302

SCHEMBL5677302

CC(=O)NCCC1(SN=O)C2CC3CC(C2)CC1C3

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
TSHR P16473 1/20 0.33
EPHX2 P34913 3/20 0.33
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 1/20 0.32
MAPK1 P28482 1/20 0.32
HIF1A Q16665 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
MAPT P10636 1/20 0.31
ATM Q13315 1/20 0.31

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
SCHEMBL5675991 0.72 ALDH1A1 (0.48) EPHX2ALDH1A1
Hydrochloric Acid SCHEMBL5677496 0.71 GRIN2D (0.35)
SCHEMBL5148657 0.71 HSD11B1 (0.46) MEN1KMT2AALDH1A1
SCHEMBL5675990 0.70 HSD11B1 (0.41) TSHRALDH1A1
SCHEMBL5676231 0.70 GAA (0.45)
SCHEMBL7078303 0.69 HSD11B1 (0.35) EPHX2
SCHEMBL4586648 0.69
SCHEMBL8338683 0.67 MEN1 (0.67) MEN1KMT2ATSHREPHX2ALDH1A1
SCHEMBL4697365 0.67 HSD11B1 (0.33) MEN1KMT2AALDH1A1
SCHEMBL5676291 0.67 EPHX2 (0.34) MEN1KMT2AEPHX2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1497268-A4 NITRIC OXIDE DONORS, COMPOSITIONS AND METHODS OF USE NITROMED INC (US) 2006-01-18 EP claimed
EP-1497268-A2 NITRIC OXIDE DONORS, COMPOSITIONS AND METHODS OF USE Nitromed, Inc. (US) 2005-01-19 EP claimed
US-20030203915-A1 Nitric oxide donors, compositions and methods of use related applications NICOX S.A. (FR) 2003-10-30 US claimed
WO-2003086282-A2 NITRIC OXIDE DONORS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2003-10-23 WO claimed
EP-1497268-A4 NITRIC OXIDE DONORS, COMPOSITIONS AND METHODS OF USE NITROMED INC (US) 2006-01-18 EP disclosed
EP-1497268-A2 NITRIC OXIDE DONORS, COMPOSITIONS AND METHODS OF USE Nitromed, Inc. (US) 2005-01-19 EP disclosed
US-20030203915-A1 Nitric oxide donors, compositions and methods of use related applications NICOX S.A. (FR) 2003-10-30 US disclosed
WO-2003086282-A2 NITRIC OXIDE DONORS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2003-10-23 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 (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-20030203915-A1 Nitric oxide donors, compositions and methods of use related applications NOS1, NOS2, NOS3 MEN1 3465/4885KMT2A 4693/4885TSHR 3281/4885

“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.