SCHEMBL6326003

SCHEMBL6326003

O=C(O)[C@H](Cc1ccccc1)N(Cc1sccc1-c1cc(F)cc(F)c1)C(=O)c1ccc(Cl)cc1Cl

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.36
SHMT1 P34896 1/20 0.35
PPARA Q07869 1/20 0.35
CYP3A4 P08684 1/20 0.35
PTPN1 P18031 1/20 0.35
ADAMTS5 Q9UNA0 1/20 0.35
TMEM97 Q5BJF2 1/20 0.35
SIGMAR1 Q99720 1/20 0.35

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
SCHEMBL6318551 1.00 KIF11 (0.36) KIF11SHMT1PPARACYP3A4PTPN1
SCHEMBL6324965 0.93 RORB (0.37) KIF11SHMT1
SCHEMBL6324968 0.93 RORB (0.37) KIF11SHMT1
SCHEMBL6317258 0.93 CYP3A4 (0.39) KIF11SHMT1CYP3A4PTPN1ADAMTS5
SCHEMBL6318056 0.90 KIF11 (0.37) KIF11SHMT1PPARACYP3A4PTPN1
SCHEMBL6318059 0.90 KIF11 (0.37) KIF11SHMT1PPARACYP3A4PTPN1
SCHEMBL6317861 0.90 PPARA (0.38) KIF11SHMT1PPARAPTPN1ADAMTS5
SCHEMBL6317863 0.90 PPARA (0.38) KIF11SHMT1PPARAPTPN1ADAMTS5
SCHEMBL6324953 0.89 KIF11 (0.35) KIF11TMEM97SIGMAR1
SCHEMBL6318887 0.89 RORB (0.38) KIF11SHMT1

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 KIF11 2199/4885SHMT1 2213/4885PPARA 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.