SCHEMBL907382

SCHEMBL907382

CC(C)(C)OC(=O)NCCCCCC(=O)Nc1ccc(N(S)C(=O)NC(=O)c2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 12/20 0.51
SIRT2 Q8IXJ6 8/20 0.50
SIRT3 Q9NTG7 1/20 0.49
HDAC1 Q13547 4/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
HDAC3 O15379 3/20 0.46
GBA1 P04062 1/20 0.43
HDAC4 P56524 2/20 0.42
HDAC7 Q8WUI4 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC10 Q969S8 2/20 0.42
HDAC11 Q96DB2 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HDAC9 Q9UKV0 2/20 0.42
HDAC5 Q9UQL6 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
SCHEMBL907381 0.85 SIRT1 (0.67) SIRT1SIRT2SIRT3HDAC1CA1
SCHEMBL907521 0.84 NAMPT (0.46) SIRT1HDAC3HDAC11HDAC8HDAC6
SCHEMBL907439 0.83 SIRT1 (0.55) SIRT1SIRT2SIRT3HDAC1HDAC3
SCHEMBL907350 0.82 SIRT1 (0.70) SIRT1SIRT2SIRT3
SCHEMBL31203496 0.78 CA1 (0.63) HDAC1CA1CA2HDAC3GBA1
SCHEMBL30405032 0.76 CA1 (0.55) HDAC1CA1CA2HDAC3GBA1
SCHEMBL30091843 0.76 CA1 (0.55) HDAC1CA1CA2HDAC3GBA1
SCHEMBL907583 0.76 NR1H4 (0.54) SIRT1CA1CA2HDAC3HDAC11
SCHEMBL31203382 0.75 CA1 (0.59) HDAC1CA1CA2HDAC3GBA1
SCHEMBL5243757 0.75 CA1 (0.59) HDAC1CA1CA2HDAC3GBA1

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-8501991-B2 P53 activating compounds UNIVERSITY COURT OF THE UNIVERSITY OF DUNDEE (GB) 2013-08-06 US disclosed
US-20110021529-A1 P53 ACTIVATING COMPOUNDS UNIVERSITY COURT OF THE UNIVERSITY OF DUNDEE (GB) 2011-01-27 US disclosed
EP-2099445-B1 P53 ACTIVATING BENZOYL UREA AND BENZOYL THIOUREA COMPOUNDS UNIV DUNDEE (GB) 2010-11-17 EP 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-20110021529-A1 P53 ACTIVATING COMPOUNDS TP53, TP53BP1, SIRT1 SIRT1 3/4885SIRT2 6/4885SIRT3 13/4885

“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.