SCHEMBL7046323

SCHEMBL7046323

Cc1cccc(CC[C@H](NC(=O)CCCCNC(=O)OCc2ccccc2)C(O)c2ncc(-c3ccccc3)o2)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 9/20 0.44
HDAC6 Q9UBN7 9/20 0.44
MAPT P10636 1/20 0.42
HDAC3 O15379 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
PTGER4 P35408 3/20 0.40
FOLH1 Q04609 3/20 0.40
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39

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
SCHEMBL7047769 0.88 HDAC1 (0.40) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL7046400 0.80 PTGER4 (0.38) HDAC1HDAC6MAPTHDAC3HDAC2
SCHEMBL7185046 0.78 HSP90AA1 (0.38) HDAC1HDAC6MAPTHDAC3HDAC2
SCHEMBL7049142 0.78 ANPEP (0.37) HDAC1HDAC6MAPTHDAC3HDAC2
SCHEMBL7045972 0.77 TP53 (0.38) HDAC1HDAC6MAPTHDAC3HDAC2
SCHEMBL7046902 0.77 HSP90AA1 (0.40) HDAC1HDAC6MAPTHDAC3HDAC2
SCHEMBL7042861 0.77 FOLH1 (0.36) MAPTPTGER4FOLH1
SCHEMBL7042122 0.77 FOLH1 (0.35) HDAC1HDAC6MAPTPTGER4FOLH1
SCHEMBL7049411 0.76 TLR2 (0.38) MAPTPTGER4FOLH1
SCHEMBL16785551 0.70 HDAC1 (0.45) HDAC1HDAC6

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 217/4885MAPT 2414/4885

“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.