SCHEMBL6325272

SCHEMBL6325272

O=C(O)C1CCN(c2ncc(CN(C(=O)c3ccc(Cl)cc3Cl)C(Cc3ccccc3)C(=O)O)s2)CC1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A12 P48065 1/20 0.38
NOTUM Q6P988 2/20 0.37
ALDH1A1 P00352 1/20 0.35
BCHE P06276 1/20 0.35
FFAR2 O15552 1/20 0.34

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
SCHEMBL6325265 1.00 SLC6A12 (0.38) SLC6A12NOTUMALDH1A1BCHEFFAR2
SCHEMBL6323034 0.90 ALDH1A1 (0.38) SLC6A12ALDH1A1BCHE
SCHEMBL6323037 0.90 ALDH1A1 (0.38) SLC6A12ALDH1A1BCHE
SCHEMBL6315785 0.90 SMN1; SMN2 (0.39) ALDH1A1BCHE
SCHEMBL6315793 0.90 SMN1; SMN2 (0.39) ALDH1A1BCHE
SCHEMBL6318318 0.89 BCHE (0.46) SLC6A12ALDH1A1BCHE
SCHEMBL6318005 0.89 BCHE (0.46) SLC6A12ALDH1A1BCHE
SCHEMBL6317022 0.83 CYP1A2 (0.42)
SCHEMBL6317028 0.83 CYP1A2 (0.42)
SCHEMBL6316624 0.78 CYP1A2 (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6887877-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VIROCHEM PHARMA INC. (CA) 2005-05-03 US claimed
EP-1395571-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS Shire Biochem Inc. (CA) 2004-03-10 EP claimed
US-20030229053-A1 Compounds and methods for the treatment or prevention of flavivirus infections SHIRE BIOCHEM INC. (CA) 2003-12-11 US claimed
WO-2002100846-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS SHIRE BIOCHEM INC. (CA) 2002-12-19 WO claimed
US-6887877-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VIROCHEM PHARMA INC. (CA) 2005-05-03 US disclosed
US-20030229053-A1 Compounds and methods for the treatment or prevention of flavivirus infections SHIRE BIOCHEM INC. (CA) 2003-12-11 US 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-20030229053-A1 Compounds and methods for the treatment or prevention of flavivirus infections HAVCR2, ZC3HAV1, MAVS SLC6A12 2009/4885NOTUM 1248/4885ALDH1A1 245/4885

“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.