SCHEMBL4557779

SCHEMBL4557779

CC(=O)SCC(=O)NC(CC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
CYP2D6 P10635 1/20 0.38
PPARG P37231 7/20 0.36
PPARA Q07869 7/20 0.36
ACE P12821 1/20 0.35
PPARD Q03181 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTT P42858 1/20 0.34
VCAM1 P19320 1/20 0.34
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
FNTA P49354 2/20 0.32
FNTB P49356 2/20 0.32
GRN P28799 1/20 0.32

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
SCHEMBL4777378 0.85 CYP2D6 (0.35) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL28643147 0.80 CYP2D6 (0.42) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL28643149 0.80 CYP2D6 (0.42) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL11912121 0.80 MAPT (0.48) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL13259810 0.80 MAPT (0.48) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL25192292 0.80 MAPT (0.48) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL343678 0.77 CYP2D6 (0.55) CYP2D6PPARGPPARAACEPPARD
SCHEMBL343679 0.77 CYP2D6 (0.55) CYP2D6PPARGPPARAACEPPARD
SCHEMBL3682214 0.77 CYP2D6 (0.55) CYP2D6PPARGPPARAACEPPARD
SCHEMBL14113279 0.77 ACE (0.44) HDAC3HDAC1HDAC2HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1337853-B1 AN EXTENDED TETHERING APPROACH FOR RAPID IDENTIFICATION OF LIGANDS SUNESIS PHARMACEUTICALS INC (US) 2009-01-07 EP disclosed
US-20080261831-A1 Ligands and libraries of ligands WELLS JIM 2008-10-23 US disclosed
EP-1939625-A2 Methods for ligand discovery Sunesis Pharmaceuticals, Inc. (US) 2008-07-02 EP disclosed
EP-1441228-B1 An extended tethering approach for rapid identification of ligands SUNESIS PHARMACEUTICALS INC (US) 2006-06-28 EP disclosed
US-6998233-B2 Methods for ligand discovery SUNESIS PHARMACEUTICALS, INC. (US) 2006-02-14 US disclosed
US-20050186630-A1 Extended tethering approach for rapid identification of ligands ERLANSON DANIEL A (US) 2005-08-25 US disclosed
US-6919178-B2 Extended tethering approach for rapid identification of ligands SUNESIS PHARMACEUTICALS, INC. (US) 2005-07-19 US disclosed
US-20050142614-A1 Methods for ligand discovery WELLS JIM (US) 2005-06-30 US disclosed
EP-1441228-A1 An extended tethering approach for rapid identification of ligands Sunesis Pharmaceuticals, Inc. (US) 2004-07-28 EP disclosed
US-20040043426-A1 Methods for ligand discovery WELLS JIM (US) 2004-03-04 US disclosed
US-20020155505-A1 Methods for ligand discovery SUNESIS PHARMACEUTICALS, INC. 2002-10-24 US disclosed
US-20020150947-A1 Extended tethering approach for rapid identification of ligands SUNESIS PHARMACEUTICALS, INC. 2002-10-17 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 (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-20040043426-A1 Methods for ligand discovery ADGRF1, VCAM1, LDLR HDAC3 1338/4885HDAC1 1832/4885HDAC2 2590/4885
US-20020155505-A1 Methods for ligand discovery ADGRF1, VCAM1, LDLR HDAC3 1338/4885HDAC1 1832/4885HDAC2 2590/4885

“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.