SCHEMBL2196090

SCHEMBL2196090

CC(C)(C)OC(=O)N(CCC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1)C(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.53
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
PFKFB3 Q16875 1/20 0.46
POLB P06746 1/20 0.46
ITGA1 P56199 2/20 0.45
TCF4 P15884 2/20 0.45
CTNNB1 P35222 2/20 0.45
HTR6 P50406 1/20 0.45

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
SCHEMBL3137263 0.82 HDAC3 (0.51) F2HDAC3HDAC4HDAC1HDAC7
SCHEMBL2197591 0.80 F2 (0.52) F2HTR6TGFBR1
SCHEMBL15946029 0.78 HDAC2 (0.64) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3135135 0.77 HTR6 (0.60) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2202183 0.77 F2 (0.51) F2HTR6TGFBR1
SCHEMBL3127728 0.74 HDAC2 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4606413 0.73 HDAC2 (0.60) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL27840643 0.73 HDAC2 (0.60) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1726857 0.73 LMNA (0.76) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8369354 0.72 TCF4 (0.80) HDAC3HDAC4HDAC1HDAC7HDAC2

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-20160145198-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. 2016-05-26 US disclosed
US-9193669-B2 Compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2015-11-24 US disclosed
US-20140228443-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2014-08-14 US disclosed
EP-2340242-A2 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS Acucela, Inc. (US) 2011-07-06 EP disclosed
WO-2010048332-A2 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2010-04-29 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 (2 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-20160145198-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, ALDH1A2 F2 4045/4885HDAC3 693/4885HDAC4 542/4885
US-20140228443-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, ALDH1A2 F2 4045/4885HDAC3 693/4885HDAC4 542/4885

“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.