SCHEMBL2217569

SCHEMBL2217569

[S]C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)Cl

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 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
SCHEMBL837056 0.87
SCHEMBL835013 0.75
SCHEMBL8445734 0.68 TSHR (0.38) TSHR
SCHEMBL760066 0.68 TSHR (0.38) TSHR
SCHEMBL6693744 0.64 ALDH1A1 (0.33) TSHR
SCHEMBL8568629 0.64 ALDH1A1 (0.33) TSHR
SCHEMBL28802487 0.64 ALDH1A1 (0.33) TSHR
SCHEMBL3535287 0.64 ALDH1A1 (0.33) TSHR
SCHEMBL2405628 0.64 ALDH1A1 (0.33) TSHR
SCHEMBL8573008 0.64 ALDH1A1 (0.33) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2213663-B1 Preparation of halogenated N-heteroaromatic polyhalogen derivatives SALTIGO GMBH (DE) 2011-09-28 EP disclosed
EP-1345908-B1 PROCESS FOR THE PREPARATION OF ALPHA-AMINOSUBSTITUTED CARBOXYLIC ACID AMIDES MERCK PATENT GMBH (DE) 2011-07-27 EP disclosed
EP-2256104-A1 Process for the preparation of alpha-aminosubstituted carboxylic acid amides Merck Patent GmbH (DE) 2010-12-01 EP disclosed
EP-2213663-A1 Preparation of halogenated N-heteroaromatic polyhalogen derivatives Saltigo GmbH (DE) 2010-08-04 EP disclosed
US-7166720-B2 Process for the preparation of α-aminosubstituted carboxylic acid amides MERCK PATENT GESELLSCHAFT (DE) 2007-01-23 US disclosed
US-7053211-B2 Process for the preparation of α-aminosubstituted carboxylic acid amides MERCK PATENT GMBH (DE) 2006-05-30 US disclosed
US-20060025587-A1 Process for the preparation of alpha-aminosubstituted carboxylic acid amides HARTIG THORSTEN 2006-02-02 US disclosed
US-20040034250-A1 Process for the preparation of alpha-aminosubstituted carboxylic acid amides MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2004-02-19 US disclosed
EP-1345908-A2 PROCESS FOR THE PREPARATION OF ALPHA-AMINOSUBSTITUTED CARBOXYLIC ACID AMIDES MERCK PATENT GmbH (DE) 2003-09-24 EP disclosed
WO-2002051813-A2 PROCESS FOR THE PREPARATION OF α-AMINOSUBSTITUTED CARBOXYLIC ACID AMIDES MERCK PATENT GMBH (DE) 2002-07-04 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-20040034250-A1 Process for the preparation of alpha-aminosubstituted carboxylic acid amides ASNS, HNMT, NAAA TSHR 3019/4885
US-20060025587-A1 Process for the preparation of alpha-aminosubstituted carboxylic acid amides ASNS, HNMT, AASDHPPT TSHR 2831/4885

“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.