SCHEMBL6324780

SCHEMBL6324780

O=C(O)c1cccc(CN(C(=O)c2ccc(Cl)cc2Cl)C(Cc2ccccc2)C(=O)O)c1

nearest known ligand 0.73

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 4/20 0.46
AR P10275 1/20 0.46
MEP1A Q16819 1/20 0.45
MEP1B Q16820 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TRPM8 Q7Z2W7 1/20 0.44

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
SCHEMBL6322354 0.93 SRD5A2 (0.41)
SCHEMBL6322347 0.93 SRD5A2 (0.41)
SCHEMBL6316745 0.92 VNN1 (0.40) TRPM8
SCHEMBL6316749 0.92 VNN1 (0.40) TRPM8
SCHEMBL6323707 0.92 ALDH1A1 (0.41) MEN1KMT2A
SCHEMBL6322860 0.91 PPARA (0.44)
SCHEMBL6322854 0.91 PPARA (0.44)
SCHEMBL6317869 0.91 PPARA (0.48)
SCHEMBL6319567 0.89 SLC7A5 (0.48) MRGPRX4
SCHEMBL6320755 0.87 PTGES (0.42)

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 MRGPRX4 1939/4885AR 4875/4885MEP1A 1150/4885

“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.