SCHEMBL13855069

SCHEMBL13855069

CC(C)(C)OC(=O)/N=C(\N)c1ccc(NC(=O)NCC(=O)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 3/20 0.44
▸ HDAC2 Q92769 3/20 0.44
▸ F7 P08709 12/20 0.44
▸ F2 P00734 6/20 0.42
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ FPR2 P25090 1/20 0.40
▸ F10 P00742 2/20 0.39
▸ MAPKAPK2 P49137 1/20 0.38

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
SCHEMBL13855070 0.87 PPID (0.46) HDAC1HDAC2F7CA12CA1
SCHEMBL13855391 0.82 HDAC1 (0.44) HDAC1HDAC2F7F2CA12
SCHEMBL13855068 0.82 F7 (0.47) HDAC1HDAC2F7F2F10
SCHEMBL13855054 0.81 SMN1; SMN2 (0.43) ALDH1A1
SCHEMBL8899089 0.77 F7 (0.40) HDAC1HDAC2F7F2CA12
SCHEMBL10458385 0.76 CA12 (0.50) HDAC1HDAC2F7F2CA12
SCHEMBL13855055 0.75 SMN1; SMN2 (0.42) ALDH1A1MAPKAPK2
SCHEMBL8898242 0.75 F7 (0.45) HDAC1F7F2CA12CA1
SCHEMBL4413240 0.74 F7 (0.44) HDAC1F7F2CA12CA1
SCHEMBL8870526 0.73 GAA (0.48) CA12CA1CA2CA9ALDH1A1

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-20090130085-A1 Amidino-Compounds for Stabilizing Factor VII Polypeptide Formulations NOVO NORDISH HEALTHCARE AG (CH) 2009-05-21 — — 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-20090130085-A1 Amidino-Compounds for Stabilizing Factor VII Polypeptide Formulations F7, F5, F8 HDAC1 3155/4885HDAC2 4308/4885F7 1/4885

“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.

Send feedback