SCHEMBL4777378

SCHEMBL4777378

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

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HTT P42858 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
SCHEMBL4557779 0.85 HDAC3 (0.40) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL4307307 0.80 CA2 (0.35) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL6606570 0.70 CTSG (0.43)
SCHEMBL2502740 0.69 CCNB2 (0.39) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL26302403 0.67 CTSS (0.46) CYP2D6CYP1A2CYP2C9CYP2C19HTT
SCHEMBL17731584 0.67 CASP1 (0.54)
SCHEMBL28643149 0.65 CYP2D6 (0.42) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL30826518 0.65 CYP2D6 (0.42) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL28643147 0.65 CYP2D6 (0.42) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL25192292 0.64 MAPT (0.48) CYP2D6HDAC3HDAC1HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1337853-A2 AN EXTENDED TETHERING APPROACH FOR RAPID IDENTIFICATION OF LIGANDS Sunesis Pharmaceuticals, Inc. (US) 2003-08-27 EP 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
WO-2002042773-A2 AN EXTENDED TETHERING APPROACH FOR RAPID IDENTIFICATION OF LIGANDS SUNESIS PHARMACEUTICALS, INC. (US) 2002-05-30 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-20040043426-A1 Methods for ligand discovery ADGRF1, VCAM1, LDLR CYP2D6 4295/4885HDAC3 1338/4885HDAC1 1832/4885
US-20020155505-A1 Methods for ligand discovery ADGRF1, VCAM1, LDLR CYP2D6 4295/4885HDAC3 1338/4885HDAC1 1832/4885

“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.