SCHEMBL7049142

SCHEMBL7049142

Cc1cccc(CC[C@H](NC(=O)CCCCNC(=O)OCc2ccccc2)C(O)c2nc(C(=O)N(C)c3ccccn3)co2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.37
FOLH1 Q04609 5/20 0.35
MAPT P10636 1/20 0.35
PTGER4 P35408 3/20 0.34
SIRT2 Q8IXJ6 3/20 0.34
SIRT1 Q96EB6 2/20 0.34
SIRT3 Q9NTG7 1/20 0.34
HDAC1 Q13547 5/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
HDAC2 Q92769 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
HDAC9 Q9UKV0 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33

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
SCHEMBL7042861 0.91 FOLH1 (0.36) FOLH1MAPTPTGER4SIRT2SIRT1
SCHEMBL7042122 0.89 FOLH1 (0.35) FOLH1MAPTPTGER4SIRT2SIRT1
SCHEMBL7046400 0.84 PTGER4 (0.38) FOLH1MAPTPTGER4SIRT2HDAC1
SCHEMBL7185046 0.83 HSP90AA1 (0.38) FOLH1MAPTPTGER4HDAC1HDAC2
SCHEMBL7046902 0.82 HSP90AA1 (0.40) FOLH1MAPTPTGER4HDAC1HDAC2
SCHEMBL7045972 0.82 TP53 (0.38) FOLH1MAPTPTGER4HDAC1HDAC2
SCHEMBL7049411 0.81 TLR2 (0.38) FOLH1MAPTPTGER4
SCHEMBL7046323 0.78 HDAC1 (0.44) FOLH1MAPTPTGER4HDAC1HDAC2
SCHEMBL6465469 0.73 PPARG (0.35) CA2
SCHEMBL7045332 0.72 FOLH1 (0.40) ANPEPFOLH1MAPTSIRT2SIRT1

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 ANPEP 23/4885FOLH1 624/4885MAPT 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.