SCHEMBL6087100

SCHEMBL6087100

CC(C)(C)NC(CCC(=O)O)C(=O)Nc1cccc(COc2ccc3[nH]c(C(N)=O)cc3c2)c1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CFD P00746 1/20 0.55
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46
SRD5A2 P31213 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CTNNB1 P35222 11/20 0.44
SIRT2 Q8IXJ6 1/20 0.44
SIRT1 Q96EB6 1/20 0.44
SIRT3 Q9NTG7 1/20 0.44
PDGFRB P09619 1/20 0.44
PDGFRA P16234 1/20 0.44
FLT3 P36888 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
LTA4H P09960 2/20 0.41

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
SCHEMBL6087679 0.87 CFD (0.60) CFDKDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL6087661 0.87 CFD (0.60) CFDKDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL6087307 0.82 SRD5A2 (0.48) SRD5A2SIRT2SIRT1SIRT3LTA4H
SCHEMBL6088796 0.81 CFD (0.53) CFDKDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL6087115 0.75 CFD (0.56) CFDKDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL6087109 0.75 CFD (0.56) CFDKDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL6089719 0.74 KDM4E (0.81) CFDKDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL6087455 0.72 CFD (0.76) CFDKDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL6087646 0.69 LTA4H (0.55) SRD5A2LTA4H
SCHEMBL6087655 0.69 LTA4H (0.55) SRD5A2LTA4H

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7125906-B2 Indole derivatives having anti-angiogenetic activity ASTRAZENECA AB (SE) 2006-10-24 US disclosed
US-20050159474-A1 Angiogenesis inhibitors for cardiovascular disorders, neovascularization ASTRAZENECA AB (SE) 2005-07-21 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-20050159474-A1 Angiogenesis inhibitors for cardiovascular disorders, neovascularization FLT1, FLT4, VEGFA CFD 133/4885KDM4E 1304/4885ALDH1A1 1181/4885

“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.