SCHEMBL4880481

SCHEMBL4880481

CC(=O)c1ccc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 7/20 0.78
FAAH O00519 1/20 0.69
HDAC3 O15379 2/20 0.67
HDAC4 P56524 2/20 0.67
HDAC1 Q13547 2/20 0.67
HDAC7 Q8WUI4 2/20 0.67
HDAC2 Q92769 2/20 0.67
HDAC10 Q969S8 2/20 0.67
HDAC11 Q96DB2 2/20 0.67
HDAC8 Q9BY41 2/20 0.67
HDAC6 Q9UBN7 2/20 0.67
HDAC9 Q9UKV0 2/20 0.67
HDAC5 Q9UQL6 2/20 0.67
TRPV1 Q8NER1 3/20 0.61
CA12 O43570 1/20 0.58
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA9 Q16790 1/20 0.58
NPC1 O15118 3/20 0.58
RAB9A P51151 3/20 0.58

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
SCHEMBL4883678 0.89 TRPV1 (0.76) EPHX2FAAHHDAC3HDAC4HDAC1
SCHEMBL4878398 0.89 TRPV1 (0.76) EPHX2FAAHHDAC3HDAC4HDAC1
SCHEMBL11555827 0.88 EPHX2 (1.00) EPHX2FAAHHDAC3HDAC4HDAC1
SCHEMBL75853 0.87 RAB9A (0.59) EPHX2FAAHHDAC3HDAC4HDAC1
SCHEMBL6110185 0.86 EPHX2 (0.91) EPHX2FAAHHDAC3HDAC4HDAC1
SCHEMBL12584976 0.84 EPHX2 (0.83) EPHX2FAAHHDAC3HDAC4HDAC1
SCHEMBL20805840 0.84 EPHX2 (0.77) EPHX2FAAHHDAC3HDAC4HDAC1
SCHEMBL22103767 0.82 EPHX2 (0.86) EPHX2FAAHHDAC3HDAC4HDAC1
SCHEMBL12412638 0.82 EPHX2 (0.80) EPHX2FAAHHDAC3HDAC4HDAC1
SCHEMBL18031167 0.82 EPHX2 (0.86) EPHX2FAAHHDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080194681-A1 Novel Inhibitors of Histone Deacetylase for the Treatment of Disease KALYPSYS, INC. (US) 2008-08-14 US disclosed
US-20080194681-A1 Novel Inhibitors of Histone Deacetylase for the Treatment of Disease KALYPSYS, INC. (US) 2008-08-14 US disclosed
US-20080194681-A1 Novel Inhibitors of Histone Deacetylase for the Treatment of Disease KALYPSYS, INC. (US) 2008-08-14 US disclosed
EP-1819669-A2 NOVEL INHIBITORS OF HISTONE DEACETYLASE FOR THE TREATMENT OF DISEASE Kalypsys, Inc. (US) 2007-08-22 EP disclosed
WO-2006063294-A2 NOVEL INHIBITORS OF HISTONE DEACETYLASE FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2006-06-15 WO 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-20080194681-A1 Novel Inhibitors of Histone Deacetylase for the Treatment of Disease HDAC1, HDAC10, HDAC6 EPHX2 3021/4885FAAH 1539/4885HDAC3 11/4885

“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.