SCHEMBL13637625

SCHEMBL13637625

CCCCCCCC(C)CONC(=O)CCCCCCC(=O)Nc1ccc(S(=O)(=O)N[C@H](C(=O)O)c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
POLB P06746 1/20 0.45
HTT P42858 1/20 0.44
HDAC8 Q9BY41 6/20 0.44
HDAC3 O15379 4/20 0.44
HDAC6 Q9UBN7 4/20 0.44
HDAC1 Q13547 3/20 0.44
HDAC2 Q92769 3/20 0.44
ALDH1A1 P00352 2/20 0.44
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
MMP2 P08253 2/20 0.42
MMP9 P14780 2/20 0.42
MMP8 P22894 2/20 0.42
MMP12 P39900 2/20 0.42
MMP14 P50281 2/20 0.42
HDAC4 P56524 2/20 0.42
HDAC7 Q8WUI4 2/20 0.42
HDAC10 Q969S8 2/20 0.42

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
SCHEMBL13627352 0.86 ALDH1A1 (0.48) CA1CA2POLBHTTHDAC8
SCHEMBL1491589 0.79 HDAC1 (0.58) HDAC8HDAC3HDAC6HDAC1HDAC2
SCHEMBL1491591 0.79 HDAC1 (0.58) HDAC8HDAC3HDAC6HDAC1HDAC2
SCHEMBL11526181 0.69 MMP2 (0.53) CA1CA2HDAC8HDAC3HDAC6
SCHEMBL4594049 0.67 ALDH1A1 (0.76) CA1CA2POLBHTTHDAC3
SCHEMBL24046165 0.67 PLA2G2C (0.49) ALDH1A1HDAC11
SCHEMBL15906737 0.67 CA1 (0.97) CA1CA2POLBHTTCA12
SCHEMBL15906718 0.67 CA1 (0.97) CA1CA2POLBHTTCA12
SCHEMBL2476370 0.67 CA1 (0.97) CA1CA2POLBHTTCA12
SCHEMBL11476737 0.67 CA1 (0.97) CA1CA2POLBHTTCA12

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090291978-A1 Enzyme Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2009-11-26 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-20090291978-A1 Enzyme Inhibitors HAT1, NR2E1, NR2C2 CA1 162/4885CA2 249/4885POLB 979/4885

“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.