SCHEMBL4323643

SCHEMBL4323643

CC(=O)SCC(=O)NC(CC(=O)OC(C)(C)C)C(=O)COC(=O)c1c(Cl)cccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 14/20 0.44
CASP6 P55212 13/20 0.44
CASP8 Q14790 13/20 0.44
MEN1 O00255 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
LMNA P02545 1/20 0.39
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL10068467 0.87 CASP3 (0.56) CASP3CASP6CASP8MEN1RAB9A
SCHEMBL4311125 0.87 CASP3 (0.56) CASP3CASP6CASP8MEN1RAB9A
SCHEMBL644624 0.79 CASP1 (0.48) CASP3CASP6CASP8
SCHEMBL645654 0.79 CASP1 (0.48) CASP3CASP6CASP8
SCHEMBL4777378 0.77 CYP2D6 (0.35)
SCHEMBL11240891 0.73 L3MBTL1 (0.50) MEN1RAB9AKMT2AL3MBTL1LMNA
SCHEMBL3893622 0.73 ITGB1 (0.55) CASP3CASP6CASP8
SCHEMBL3893628 0.73 ITGB1 (0.55) CASP3CASP6CASP8
SCHEMBL4557779 0.73 HDAC3 (0.40)
SCHEMBL646336 0.72 ELANE (0.53) CASP3CASP6CASP8

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 15 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-1836129-B1 IMPROVED DISPENSER FOR A TABLET, AND METHODS FOR USE RECKITT BENCKISER INC (US) 2008-09-10 EP 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 CASP3 4502/4885CASP6 3348/4885CASP8 4562/4885
US-20020155505-A1 Methods for ligand discovery ADGRF1, VCAM1, LDLR CASP3 4502/4885CASP6 3348/4885CASP8 4562/4885

“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.