SCHEMBL6325708

SCHEMBL6325708

O=C(O)[C@H](Cc1ccccc1)N(Cc1cc(-c2ccc(Cl)cc2Cl)cs1)C(=O)c1ccc(Cl)cc1Cl

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SHMT1 P34896 1/20 0.42
MARS1 P56192 1/20 0.39
PPARA Q07869 1/20 0.39
PSMB5 P28074 1/20 0.38
TMEM97 Q5BJF2 2/20 0.38
SIGMAR1 Q99720 2/20 0.38
ADAMTS5 Q9UNA0 1/20 0.38

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
SCHEMBL6325714 1.00 SHMT1 (0.42) SHMT1MARS1PPARAPSMB5TMEM97
SCHEMBL6325609 0.89 KMT2A (0.39) SHMT1PPARAADAMTS5
SCHEMBL6322782 0.89 ADAMTS5 (0.39) PPARATMEM97SIGMAR1ADAMTS5
SCHEMBL6322789 0.89 ADAMTS5 (0.39) PPARATMEM97SIGMAR1ADAMTS5
SCHEMBL6325614 0.89 KMT2A (0.39) SHMT1PPARAADAMTS5
SCHEMBL6324648 0.88 PPARA (0.37) PPARATMEM97SIGMAR1ADAMTS5
SCHEMBL6324643 0.88 PPARA (0.37) PPARATMEM97SIGMAR1ADAMTS5
SCHEMBL6316688 0.87 PPARA (0.41) SHMT1PPARATMEM97SIGMAR1ADAMTS5
SCHEMBL6316686 0.87 PPARA (0.41) SHMT1PPARATMEM97SIGMAR1ADAMTS5
SCHEMBL6317572 0.87 ADAMTS5 (0.38) PPARATMEM97SIGMAR1ADAMTS5

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 SHMT1 2213/4885MARS1 1672/4885PPARA 2311/4885

“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.