SCHEMBL1842091

SCHEMBL1842091

CC(=N)NCCSC[C@](C)(N)C(=O)OC(=O)/C=C\C(=O)OC(=O)[C@@](C)(N)CSCCNC(C)=N

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 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
Hydrochloric Acid SCHEMBL1843462 0.99 NOS3 (0.33) TSHRNOS3NOS1NOS2
Hydrochloric Acid SCHEMBL4252036 0.94 NOS3 (0.33) NOS3NOS1NOS2
SCHEMBL5642094 0.85 TSHR (0.38) TSHRNOS3NOS1NOS2
SCHEMBL6267175 0.81 NOS3 (0.30) NOS3NOS1NOS2
Hydrochloric Acid SCHEMBL2732807 0.80 NOS3 (0.32) NOS3NOS1NOS2
Cindunistat SCHEMBL119959 0.79 NOS1 (0.49) TSHRNOS3NOS1NOS2
Cindunistat SCHEMBL14572932 0.79 NOS1 (0.49) TSHRNOS3NOS1NOS2
Cindunistat SCHEMBL5644203 0.79 NOS1 (0.49) TSHRNOS3NOS1NOS2
Cindunistat SCHEMBL1842090 0.78 NOS1 (0.43) TSHRNOS3NOS1NOS2
Cindunistat SCHEMBL6313297 0.78 NOS1 (0.43) TSHRNOS3NOS1NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040209956-A1 S-[2-[(1-Iminoethyl)amino]ethyl]-2-methyl-L-cysteine maleate form II crystalline salt BROSTROM LYLE (US) 2004-10-21 US claimed
US-20040204488-A1 S-[2-[(1-Iminoethyl)amino]ethyl]-2-methyl-L-cysteine maleate crystalline salt PHARMACIA CORPORATION 2004-10-14 US claimed
EP-1603872-B1 S-[2-[(1-IMINOETHYL)AMINO]ETHYL]-2-METHYL-L-CYSTEINE MALEATE HYDROCHLORIDE CRYSTALLINE SALT PHARMACIA CORP (US) 2011-05-18 EP disclosed
US-7767850-B2 S-[2-[(1-iminoethy)amino]ethyl]-2-methyl-L-cysteine maleate hydrochloride crystalline salt PFIZER INC. (US) 2010-08-03 US disclosed
US-20090215891-A1 S-[2-[(1-lminoethy)Amino]Ethyl]-2-Methyl-L-Cysteine Maleate Hydrochloride Crystalline Salt PFIZER, INC. (US) 2009-08-27 US disclosed
CN-100460387-C S-[2-[(1-iminoethyl)amino]ethyl]-2-methyl-l-cysteine maleate hydrochloride crystalline salt PHARMACIA CORP (US) 2009-02-11 CN disclosed
CN-1787993-A S-[2-[(1-iminoethyl)amino]ethyl]-2-methyl-l-cysteine maleate hydrochloride crystalline salt PHARMACIA CORP (US) 2006-06-14 CN disclosed
EP-1603871-A1 S-[2-[(I-IMINOETHYL)AMINO]ETHYL]-2-METHYL-L-CYSTEINE MALEATE CRYSTALLINE SALT Pharmacia Corporation (US) 2005-12-14 EP disclosed
US-20050038120-A1 S-[2-[(1-Iminoethyl)amino]ethyl]-2-methyl-L-cysteine maleate hydrochloride crystalline salt BROSTROM LYLE (US) 2005-02-17 US disclosed
US-20040209956-A1 S-[2-[(1-Iminoethyl)amino]ethyl]-2-methyl-L-cysteine maleate form II crystalline salt BROSTROM LYLE (US) 2004-10-21 US disclosed
US-20040209956-A1 S-[2-[(1-Iminoethyl)amino]ethyl]-2-methyl-L-cysteine maleate form II crystalline salt BROSTROM LYLE (US) 2004-10-21 US disclosed
US-20040204488-A1 S-[2-[(1-Iminoethyl)amino]ethyl]-2-methyl-L-cysteine maleate crystalline salt PHARMACIA CORPORATION 2004-10-14 US disclosed
US-20040204488-A1 S-[2-[(1-Iminoethyl)amino]ethyl]-2-methyl-L-cysteine maleate crystalline salt PHARMACIA CORPORATION 2004-10-14 US disclosed
WO-2004080955-A1 S-[2-[1-IMINOETHYL)AMINO]ETHYL]-2-METHYL-L-CYSTEINE MALEATE CRYSTALLINE SALT PHARMACIA CORPORATION (US) 2004-09-23 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 (2 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-20040204488-A1 S-[2-[(1-Iminoethyl)amino]ethyl]-2-methyl-L-cysteine maleate crystalline salt SLC7A1, CTH, BHMT2 TSHR 4039/4885NOS3 825/4885NOS1 894/4885
US-20040209956-A1 S-[2-[(1-Iminoethyl)amino]ethyl]-2-methyl-L-cysteine maleate form II crystalline salt CLCN2, CLIC1, CLIC4 TSHR 4791/4885NOS3 3207/4885NOS1 3546/4885

“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.