SCHEMBL7047769

SCHEMBL7047769

Cc1cccc(CC[C@H](NC(=O)CCCCNC(=O)Oc2cccnc2)C(O)c2ncc(-c3ccccc3)o2)c1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.40
HDAC6 Q9UBN7 5/20 0.40
EPHX1 P07099 1/20 0.39
MGLL Q99685 3/20 0.39
FAAH O00519 2/20 0.39
PTAFR P25105 1/20 0.38
HPGD P15428 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36

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
SCHEMBL7046323 0.88 HDAC1 (0.44) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL7042122 0.73 FOLH1 (0.35) HDAC1HDAC6FAAH
SCHEMBL7049142 0.70 ANPEP (0.37) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL7042861 0.69 FOLH1 (0.36)
SCHEMBL7046400 0.69 PTGER4 (0.38) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL7044832 0.68 HDAC6 (0.41) HDAC1HDAC6MGLLFAAHHDAC3
SCHEMBL7046902 0.67 HSP90AA1 (0.40) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL7045972 0.67 TP53 (0.38) HDAC1HDAC6HPGDHDAC3HDAC2
SCHEMBL7047771 0.65 EPHX1 (0.38) EPHX1MGLLFAAH
SCHEMBL27802853 0.63 FAAH (0.67) MGLLFAAH

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-20030232864-A1 Novel Compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2003-12-18 US disclosed
US-6576630-B1 Alkanoyl substituted benzooxazoles or naphthooxazoles AXYS PHARMACEUTICALS, INC. 2003-06-10 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-20030232864-A1 Novel Compounds and compositions as protease inhibitors SERPINB1, CTRL, CTSZ HDAC1 304/4885HDAC6 217/4885EPHX1 593/4885

“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.