SCHEMBL6320108

SCHEMBL6320108

O=C(O)[C@H](Cc1ccccc1)N(Cc1ccc(-c2ccc(Cl)c(F)c2)o1)C(=O)c1ccc(Cl)cc1Cl

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.40
LDHB P07195 1/20 0.40
HAO1 Q9UJM8 1/20 0.40
PPARA Q07869 3/20 0.39
PPARG P37231 2/20 0.39
RPA1 P27694 1/20 0.37
ERAP1 Q9NZ08 2/20 0.37

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
SCHEMBL6320143 1.00 LDHA (0.40) LDHALDHBHAO1PPARAPPARG
SCHEMBL6325143 0.94 RPA1 (0.44) LDHALDHBHAO1PPARAPPARG
SCHEMBL6325148 0.94 RPA1 (0.44) LDHALDHBHAO1PPARAPPARG
SCHEMBL6318881 0.92 LDHA (0.42) LDHALDHBHAO1PPARA
SCHEMBL6318872 0.92 LDHA (0.42) LDHALDHBHAO1PPARA
SCHEMBL6316358 0.90 ERAP1 (0.39) LDHALDHBHAO1PPARAPPARG
SCHEMBL6324849 0.90 LMNA (0.41) LDHALDHBHAO1PPARAPPARG
SCHEMBL6324856 0.90 LMNA (0.41) LDHALDHBHAO1PPARAPPARG
SCHEMBL6316353 0.90 ERAP1 (0.39) LDHALDHBHAO1PPARAPPARG
SCHEMBL6317867 0.90 NR4A1 (0.40) LDHALDHBHAO1PPARAPPARG

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 LDHA 2779/4885LDHB 1798/4885HAO1 2094/4885

“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.