SCHEMBL3362691

SCHEMBL3362691

CC(C)[C@@H](Br)C(=O)ON(C(C)C)C(C)C

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HTT P42858 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
SCHEMBL6377049 1.00 HTT (0.30) HTT
SCHEMBL5671706 0.73 TP53 (0.36)
SCHEMBL216434 0.71 TP53 (0.35)
SCHEMBL2800618 0.71 TP53 (0.35)
SCHEMBL316729 0.71 LMNA (0.30)
SCHEMBL28805837 0.70
SCHEMBL1459718 0.70
SCHEMBL8871105 0.69 TSHR (0.30)
SCHEMBL27465287 0.69 TSHR (0.30)
Hydrochloric Acid SCHEMBL27684303 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2239268-A1 Dipeptide derivatives Novartis AG (CH) 2010-10-13 EP disclosed
US-7473803-B2 Process for production of optically active 2-halogeno-carboxylic acids KANEKA CORPORATION (JP) 2009-01-06 US disclosed
US-20060058242-A1 Dipeptide derivatives FINK CYNTHIA A 2006-03-16 US disclosed
US-6992105-B2 Dipeptide derivatives NOVARTIS AG (CH) 2006-01-31 US disclosed
US-20050176999-A1 Process for production of optically active 2-halogeno-carboxylic acids KANEKA CORPORATION (JP) 2005-08-11 US disclosed
EP-1481960-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE 2-HALOGENO- CARBOXYLIC ACIDS KANEKA CORPORATION (JP) 2004-12-01 EP disclosed
US-20040235754-A1 Dipeptide derivatives NOVARTIS AG (CH) 2004-11-25 US disclosed
US-6777443-B2 Dipeptide derivatives NOVARTIS AG (CH) 2004-08-17 US disclosed
EP-1392720-A2 DIPEPTIDE DERIVATIVES HAVING A N-TERMINAL 2-THIOACYL GROUP AS VASOPEPTIDASE INHIBITORS Novartis AG (CH) 2004-03-03 EP disclosed
US-20020183260-A1 Dipeptide derivatives NOVARTIS AG (CH) 2002-12-05 US disclosed
WO-2002092622-A2 DIPEPTIDE DERIVATIVES HAVING A N-TERMINAL 2-THIOACYL GROUP AS VASOPEPTIDASE INHIBITORS NOVARTIS AG (CH) 2002-11-21 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 (4 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-20020183260-A1 Dipeptide derivatives ANPEP, ECE1, ECE2 HTT 4150/4885
US-20050176999-A1 Process for production of optically active 2-halogeno-carboxylic acids HAO2, HCAR2, HAAO HTT 185/4885
US-20060058242-A1 Dipeptide derivatives ANPEP, ECE2, ECE1 HTT 4086/4885
US-20040235754-A1 Dipeptide derivatives ANPEP, ECE1, ECE2 HTT 4150/4885

“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.