SCHEMBL6318429

SCHEMBL6318429

CCOC(=O)c1ccccc1-c1ccc(CN(C(=O)c2ccc(Cl)cc2Cl)[C@@H](Cc2ccccc2)C(=O)O)s1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 1/20 0.35
PPARA Q07869 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TP53 P04637 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
SCHEMBL6318433 1.00 KDM4E (0.38) KDM4EALDH1A1KMT2APPARAGAA
SCHEMBL6317324 0.87 ALDH1A1 (0.38) ALDH1A1GAAMAPTHPGDALOX15
SCHEMBL6317327 0.87 ALDH1A1 (0.38) ALDH1A1GAAMAPTHPGDALOX15
SCHEMBL6318191 0.86 SHMT1 (0.40) PPARA
SCHEMBL6320128 0.86 SHMT1 (0.40) PPARA
SCHEMBL6322243 0.84 PPARA (0.39) KDM4EALDH1A1PPARAMAPTTP53
SCHEMBL6322235 0.84 PPARA (0.39) KDM4EALDH1A1PPARAMAPTTP53
SCHEMBL6322294 0.84 L3MBTL1 (0.39) KDM4EALDH1A1KMT2APPARAGAA
SCHEMBL6322301 0.84 L3MBTL1 (0.39) KDM4EALDH1A1KMT2APPARAGAA
SCHEMBL6317283 0.83 PPARA (0.38) PPARARAB9A

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 KDM4E 3367/4885ALDH1A1 245/4885KMT2A 3263/4885

“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.