SCHEMBL6317324

SCHEMBL6317324

CCOC(=O)c1cccc(-c2ccc(CN(C(=O)c3ccc(Cl)cc3Cl)[C@@H](Cc3ccccc3)C(=O)O)s2)c1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL6317327 1.00 ALDH1A1 (0.38) ALDH1A1MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL6319956 0.90 MEN1 (0.38)
SCHEMBL6318429 0.87 KDM4E (0.38) ALDH1A1MAPTRAB9ASMN1; SMN2GAA
SCHEMBL6318433 0.87 KDM4E (0.38) ALDH1A1MAPTRAB9ASMN1; SMN2GAA
SCHEMBL6324731 0.86 HSD17B2 (0.51) ALDH1A1
SCHEMBL6324734 0.86 HSD17B2 (0.51) ALDH1A1
SCHEMBL6316159 0.86 RORC (0.38) MAPT
SCHEMBL6317122 0.85 MEN1 (0.38) HPGD
SCHEMBL6322629 0.85 ACKR3 (0.40) TP53
SCHEMBL6322627 0.85 ACKR3 (0.40) TP53

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 ALDH1A1 245/4885MAPT 1891/4885RAB9A 1414/4885

“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.