SCHEMBL6322294

SCHEMBL6322294

CCOC(=O)c1ccccc1-c1ccsc1CN(C(=O)c1ccc(Cl)cc1Cl)[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KIF11 P52732 1/20 0.37
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
SHMT1 P34896 1/20 0.35
PPARA Q07869 1/20 0.35
MAPK8 P45983 1/20 0.35
MAPK9 P45984 1/20 0.35
MAPK10 P53779 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
SCHEMBL6322301 1.00 L3MBTL1 (0.39) L3MBTL1KDM4EALDH1A1KIF11MEN1
SCHEMBL6324595 0.89 TP53 (0.41) KIF11
SCHEMBL6324593 0.89 TP53 (0.41) KIF11
SCHEMBL6318151 0.86 SHMT1 (0.42) ALDH1A1KIF11SHMT1PPARA
SCHEMBL6320486 0.86 SHMT1 (0.42) ALDH1A1KIF11SHMT1PPARA
SCHEMBL6318433 0.84 KDM4E (0.38) KDM4EALDH1A1GAAKMT2APPARA
SCHEMBL6318429 0.84 KDM4E (0.38) KDM4EALDH1A1GAAKMT2APPARA
SCHEMBL6323529 0.83 RORB (0.37) ALDH1A1KIF11SHMT1PPARA
SCHEMBL6323532 0.83 RORB (0.37) ALDH1A1KIF11SHMT1PPARA
SCHEMBL6322243 0.82 PPARA (0.39) KDM4EALDH1A1PPARA

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 L3MBTL1 2825/4885KDM4E 3367/4885ALDH1A1 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.