SCHEMBL4883071

SCHEMBL4883071

CC(=O)SCC(=O)c1ccc(NCc2ccc(OC(F)(F)F)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 12/20 1.00
HDAC3 O15379 11/20 1.00
HDAC4 P56524 11/20 1.00
HDAC7 Q8WUI4 11/20 1.00
HDAC2 Q92769 11/20 1.00
HDAC10 Q969S8 11/20 1.00
HDAC11 Q96DB2 11/20 1.00
HDAC8 Q9BY41 11/20 1.00
HDAC6 Q9UBN7 11/20 1.00
HDAC9 Q9UKV0 11/20 1.00
HDAC5 Q9UQL6 11/20 1.00
VNN1 O95497 1/20 0.51
PPARA Q07869 1/20 0.48
EPHX2 P34913 1/20 0.48
NR1H4 Q96RI1 1/20 0.48
CTNNB1 P35222 1/20 0.47
TCF7L2 Q9NQB0 1/20 0.47
CA1 P00915 3/20 0.45
CA2 P00918 3/20 0.45
POLB P06746 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
SCHEMBL4878455 0.84 HDAC3 (1.00) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL4881358 0.84 HDAC1 (0.72) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL4885049 0.83 HDAC3 (1.00) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL4886579 0.83 HDAC3 (1.00) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL2648713 0.81 HDAC1 (0.68) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL4819218 0.81 HDAC3 (1.00) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL4818569 0.81 HDAC3 (1.00) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL28757279 0.78 HDAC3 (0.77) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL4885166 0.78 HDAC3 (0.74) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL4883728 0.78 HDAC3 (0.69) HDAC1HDAC3HDAC4HDAC7HDAC2

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 3 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

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 HDAC1 1/4885HDAC3 11/4885HDAC4 8/4885

“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.