SCHEMBL6079412

SCHEMBL6079412

CCOC(C(=O)NCc1ccc(/C(N)=N/C(=O)OCc2ccccc2)cc1)n1cccc(Nc2cccc(OC)c2)c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 8/20 0.39
KDM4E B2RXH2 3/20 0.39
MEN1 O00255 3/20 0.39
ALDH1A1 P00352 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 5/20 0.37
RAB9A P51151 1/20 0.37
F2 P00734 1/20 0.36
F10 P00742 1/20 0.36
PRSS1 P07477 1/20 0.36
TP53 P04637 1/20 0.36
MAPK1 P28482 1/20 0.36
RECQL P46063 1/20 0.36
POLB P06746 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPC1 O15118 1/20 0.35
GAA P10253 1/20 0.35
GFER P55789 1/20 0.35
CTSD P07339 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
SCHEMBL6028718 1.00 PTGER3 (0.39) PTGER3KDM4EMEN1ALDH1A1KMT2A
SCHEMBL6028939 0.91 KDM4E (0.37) PTGER3KDM4EMEN1ALDH1A1KMT2A
SCHEMBL6079228 0.91 KDM4E (0.37) PTGER3KDM4EMEN1ALDH1A1KMT2A
SCHEMBL6028536 0.87 NAMPT (0.42) ALDH1A1KMT2AMAPK1
SCHEMBL6032447 0.87 NAMPT (0.42) ALDH1A1KMT2AMAPK1
Acetic Acid SCHEMBL6028849 0.84 F2 (0.48) PTGER3KDM4EMEN1ALDH1A1KMT2A
SCHEMBL6027954 0.77 MTNR1B (0.49) PTGER3KDM4EMEN1ALDH1A1KMT2A
Acetic Acid SCHEMBL6078758 0.76 F2 (0.42) F2F10PRSS1
SCHEMBL6028868 0.76 MTNR1B (0.49) PTGER3KDM4EMEN1ALDH1A1KMT2A
SCHEMBL6029699 0.75 GAA (0.39) KDM4EMEN1ALDH1A1KMT2ATP53

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-7056932-B2 Heterocyclyl substituted 1-alkoxy acetic acid amides HOFFMAN-LA ROCHE INC. (US) 2006-06-06 US claimed
US-20050137168-A1 Heterocyclyl substituted 1-alkoxy acetic acid amides HOFFMANN-LA ROCHE INC. 2005-06-23 US claimed
US-7056932-B2 Heterocyclyl substituted 1-alkoxy acetic acid amides HOFFMAN-LA ROCHE INC. (US) 2006-06-06 US disclosed
US-20050137168-A1 Heterocyclyl substituted 1-alkoxy acetic acid amides HOFFMANN-LA ROCHE INC. 2005-06-23 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-20050137168-A1 Heterocyclyl substituted 1-alkoxy acetic acid amides F12, TFPI, F11 PTGER3 1315/4885KDM4E 2303/4885MEN1 800/4885

“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.