SCHEMBL2539411

SCHEMBL2539411

CC(C)(C)OC(=O)NCCCO/N=C(\C(=O)O)c1nc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)sc1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.37
STK17B O94768 1/20 0.36
STK17A Q9UEE5 1/20 0.36
ACACB O00763 1/20 0.35
ACACA Q13085 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
DRD2 P14416 5/20 0.34
SIGMAR1 Q99720 1/20 0.34
BCHE P06276 1/20 0.34
CYP3A4 P08684 1/20 0.34
GLS O94925 1/20 0.33
CKS1B P61024 1/20 0.33
SKP1 P63208 1/20 0.33
SKP2 Q13309 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SUCNR1 Q9BXA5 1/20 0.33
BRD4 O60885 2/20 0.33

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
SCHEMBL2535653 0.83 MAPT (0.38) IDO1CA12CA1CA2CA9
SCHEMBL9526858 0.81 HDAC3 (0.38) IDO1CA12CA1CA2CA9
SCHEMBL2541499 0.81 HDAC3 (0.38) IDO1CA12CA1CA2CA9
SCHEMBL16037309 0.81 STK17B (0.39) IDO1STK17BSTK17ACA12CA1
SCHEMBL7562967 0.79 GAA (0.37) MAPT
SCHEMBL7562973 0.79 GAA (0.37) MAPT
SCHEMBL11370841 0.78 MEN1 (0.38) MAPT
SCHEMBL10551133 0.78 MAPT (0.39) IDO1SIGMAR1BCHECKS1BSKP1
SCHEMBL10551124 0.78 MAPT (0.39) IDO1SIGMAR1BCHECKS1BSKP1
SCHEMBL3237998 0.76

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970164-B1 CRYSTALLINE FORM OF A SUBSTITUTED THIAZOLYLACETIC ACID TRIETHYLAMINE SALT THERAVANCE BIOPHARMA ANTIBIOTICS IP LLC (US) 2017-05-03 EP disclosed
US-9139542-B2 Crystalline form of a substituted thiazolylacetic acid triethylamine salt THERAVANCE BIOPHARMA ANTIBIOTICS IP, LLC (US) 2015-09-22 US disclosed
WO-2014164187-A1 CRYSTALLINE FORM OF A SUBSTITUTED THIAZOLYLACETIC ACID TRIETHYLAMINE SALT THERAVANCE, INC. (US) 2014-10-09 WO disclosed
US-20140275554-A1 CRYSTALLINE FORM OF A SUBSTITUTED THIAZOLYLACETIC ACID TRIETHYLAMINE SALT THERAVANCE, INC. (US) 2014-09-18 US disclosed
US-8557978-B2 Cross-linked glycopeptide-cephalosporin antibiotics THERAVANCE, INC. (US) 2013-10-15 US disclosed
US-20120214967-A1 CROSS-LINKED GLYCOPEPTIDE-CEPHALOSPORIN ANTIBIOTICS THERAVANCE, INC. (US) 2012-08-23 US disclosed
EP-1507796-B1 CROSS-LINKED GLYCOPEPTIDE-CEPHALOSPORIN ANTIBIOTICS THERAVANCE INC (US) 2012-05-02 EP disclosed
US-8044195-B2 Cross-linked glycopeptide-cephalosporin antibiotics THERAVANCE, INC. (US) 2011-10-25 US disclosed
US-20100197569-A1 CROSS-LINKED GLYCOPEPTIDE-CEPHALOSPORIN ANTIBIOTICS THERAVANCE, INC. (US) 2010-08-05 US disclosed
US-7728127-B2 Cross-linked glycopeptide-cephalosporin antibiotics THERAVANCE, INC. (US) 2010-06-01 US disclosed
US-6974797-B2 Cross-linked glycopeptide-cephalosporin antibiotics THERAVANCE, INC. (US) 2005-12-13 US disclosed
US-20050239691-A1 Cross-linked glycopeptide - cephalosporin antibiotics THERAVANCE BIOPHARMA ANTIBIOTICS IP, LLC 2005-10-27 US disclosed
US-20050209132-A1 CROSS-LINKED GLYCOPEPTIDE-CEPHALOSPORIN ANTIBIOTICS THERAVANCE BIOPHARMA ANTIBIOTICS IP, LLC 2005-09-22 US disclosed
US-6878686-B2 Cross-linked glycopeptide-cephalosporin antibiotics THERAVANCE, INC. (US) 2005-04-12 US disclosed
EP-1507796-A1 CROSS-LINKED GLYCOPEPTIDE-CEPHALOSPORIN ANTIBIOTICS Theravance, Inc. (US) 2005-02-23 EP disclosed
EP-1434779-A2 CROSS-LINKED GLYCOPEPTIDE-CEPHALOSPORIN ANTIBIOTICS Theravance, Inc. (US) 2004-07-07 EP disclosed
US-20040033939-A1 Cross-linked glycopeptide-cephalosporin antibiotics THERAVANCE BIOPHARMA ANTIBIOTICS IP, LLC 2004-02-19 US disclosed
WO-2003099858-A1 CROSS-LINKED GLYCOPEPTIDE-CEPHALOSPORIN ANTIBIOTICS THERAVANCE, INC. (US) 2003-12-04 WO disclosed
US-20030130173-A1 Cross-linked glycopeptide-cephalosporin antibiotics THERAVANCE BIOPHARMA ANTIBIOTICS IP, LLC 2003-07-10 US disclosed
WO-2003031449-A2 CROSS-LINKED GLYCOPEPTIDE-CEPHALOSPORIN ANTIBIOTICS THERAVANCE, INC. (US) 2003-04-17 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 (7 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-20040033939-A1 Cross-linked glycopeptide-cephalosporin antibiotics CSGALNACT1, GYPA, ST3GAL3 IDO1 3111/4885STK17B 1491/4885STK17A 910/4885
US-20140275554-A1 CRYSTALLINE FORM OF A SUBSTITUTED THIAZOLYLACETIC ACID TRIETHYLAMINE SALT TREH, TBCA, GNE IDO1 2336/4885STK17B 1193/4885STK17A 541/4885
US-20030130173-A1 Cross-linked glycopeptide-cephalosporin antibiotics CSGALNACT1, GYPA, ST3GAL3 IDO1 3111/4885STK17B 1491/4885STK17A 910/4885
US-20120214967-A1 CROSS-LINKED GLYCOPEPTIDE-CEPHALOSPORIN ANTIBIOTICS CSGALNACT1, GYPA, ST3GAL3 IDO1 3111/4885STK17B 1491/4885STK17A 910/4885
US-20100197569-A1 CROSS-LINKED GLYCOPEPTIDE-CEPHALOSPORIN ANTIBIOTICS CSGALNACT1, GYPA, ST3GAL3 IDO1 3057/4885STK17B 1460/4885STK17A 891/4885
US-20050239691-A1 Cross-linked glycopeptide - cephalosporin antibiotics CSGALNACT1, GYPA, ST3GAL3 IDO1 3111/4885STK17B 1491/4885STK17A 910/4885
US-20050209132-A1 CROSS-LINKED GLYCOPEPTIDE-CEPHALOSPORIN ANTIBIOTICS CSGALNACT1, GYPA, ST3GAL3 IDO1 3111/4885STK17B 1491/4885STK17A 910/4885

“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.