SCHEMBL7046916

SCHEMBL7046916

CC(CCN(C(=O)CCCCNC(=O)OCc1ccccc1)C(=O)c1ncc(-c2ccccc2)o1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 9/20 0.45
HDAC6 Q9UBN7 9/20 0.45
HDAC3 O15379 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
FOLH1 Q04609 3/20 0.42
FAAH O00519 3/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
CES1 P23141 1/20 0.40
MAPT P10636 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
SIRT3 Q9NTG7 1/20 0.40

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
SCHEMBL7421214 0.82 FOLH1 (0.48) FOLH1SIRT2SIRT1SIRT3
SCHEMBL7045332 0.78 FOLH1 (0.40) HDAC1HDAC6HDAC2FOLH1MAPT
SCHEMBL7049032 0.77 FOLH1 (0.40) FOLH1MAPTSIRT2SIRT1SIRT3
SCHEMBL7046297 0.77 FOLH1 (0.39) FOLH1FAAHMAPTSIRT2SIRT1
SCHEMBL7046917 0.71 HDAC1 (0.40) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL24845248 0.66 DPP8 (0.63) FOLH1MMP2MMP9
SCHEMBL13471242 0.66 FOLH1 (0.62) FOLH1MMP2MMP9
SCHEMBL17250893 0.66 FOLH1 (0.62) FOLH1MMP2MMP9
SCHEMBL15177629 0.66 DPP8 (0.63) FOLH1MMP2MMP9
SCHEMBL9604544 0.66 FOLH1 (0.62) FOLH1MMP2MMP9

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 217/4885HDAC3 266/4885

“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.