SCHEMBL6316138

SCHEMBL6316138

O=C(O)c1ccc(-c2ccc(CN(C(=O)c3ccc(Cl)cc3Cl)[C@@H](Cc3ccccc3)C(=O)O)o2)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.43
LDHB P07195 1/20 0.43
HAO1 Q9UJM8 1/20 0.43
TRPM8 Q7Z2W7 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
GFER P55789 1/20 0.38
PPARA Q07869 1/20 0.38
SRD5A2 P31213 1/20 0.38
ADAMTS5 Q9UNA0 1/20 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
SCHEMBL6316141 1.00 LDHA (0.43) LDHALDHBHAO1TRPM8KDM4E
SCHEMBL6324763 0.92 LDHA (0.40) LDHALDHBHAO1PPARA
SCHEMBL6324762 0.92 LDHA (0.40) LDHALDHBHAO1PPARA
SCHEMBL6324849 0.91 LMNA (0.41) LDHALDHBHAO1KDM4EALDH1A1
SCHEMBL6324856 0.91 LMNA (0.41) LDHALDHBHAO1KDM4EALDH1A1
SCHEMBL6318872 0.91 LDHA (0.42) LDHALDHBHAO1KDM4EALDH1A1
SCHEMBL6318881 0.91 LDHA (0.42) LDHALDHBHAO1KDM4EALDH1A1
SCHEMBL6324989 0.90 LDHA (0.39) LDHALDHBHAO1KDM4EALDH1A1
SCHEMBL6324992 0.90 LDHA (0.39) LDHALDHBHAO1KDM4EALDH1A1
SCHEMBL6325311 0.90 TP53 (0.46) LDHALDHBHAO1PPARA

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 4 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
US-20030229053-A1 Compounds and methods for the treatment or prevention of flavivirus infections SHIRE BIOCHEM INC. (CA) 2003-12-11 US 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.