SCHEMBL6320486

SCHEMBL6320486

O=C(O)C(Cc1ccccc1)N(Cc1sccc1-c1ccc(Cl)cc1Cl)C(=O)c1ccc(Cl)cc1Cl

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SHMT1 P34896 1/20 0.42
GALR3 O60755 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
NR2F2 P24468 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KIF11 P52732 1/20 0.38
PPARA Q07869 1/20 0.38
TMEM97 Q5BJF2 2/20 0.37
SIGMAR1 Q99720 2/20 0.37
PSMB5 P28074 1/20 0.36

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
SCHEMBL6318151 1.00 SHMT1 (0.42) SHMT1GALR3ALDH1A1LMNANR2F2
SCHEMBL6317231 0.89 RORB (0.41) SHMT1KIF11PPARA
SCHEMBL6317221 0.89 RORB (0.41) SHMT1KIF11PPARA
SCHEMBL6318428 0.89 KIF11 (0.38) SHMT1KIF11PPARA
SCHEMBL6326003 0.88 KIF11 (0.36) SHMT1KIF11PPARATMEM97SIGMAR1
SCHEMBL6318551 0.88 KIF11 (0.36) SHMT1KIF11PPARATMEM97SIGMAR1
SCHEMBL6317258 0.88 CYP3A4 (0.39) SHMT1KIF11
SCHEMBL6318056 0.87 KIF11 (0.37) SHMT1KIF11PPARA
SCHEMBL6318059 0.87 KIF11 (0.37) SHMT1KIF11PPARA
SCHEMBL6316934 0.87 PPARA (0.40) SHMT1KIF11PPARATMEM97SIGMAR1

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
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
EP-1395571-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS Shire Biochem Inc. (CA) 2004-03-10 EP disclosed
US-20030229053-A1 Compounds and methods for the treatment or prevention of flavivirus infections SHIRE BIOCHEM INC. (CA) 2003-12-11 US disclosed
WO-2002100846-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS SHIRE BIOCHEM INC. (CA) 2002-12-19 WO 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 2213/4885GALR3 3791/4885ALDH1A1 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.