SCHEMBL1171265

SCHEMBL1171265

NCCCCC(NC(=O)C(CS)NC(=O)CCC(N)C(=O)O)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.61
GSTK1 Q9Y2Q3 1/20 0.61
NOD1 Q9Y239 11/20 0.54
FOLH1 Q04609 2/20 0.48
GSR P00390 1/20 0.47
SLC6A5 Q9Y345 1/20 0.47
SLC15A2 Q16348 1/20 0.44
FNTA P49354 1/20 0.44
FNTB P49356 1/20 0.44
PGGT1B P53609 1/20 0.44

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
SCHEMBL12867524 1.00 PTGS1 (0.61) PTGS1GSTK1NOD1FOLH1GSR
SCHEMBL9160515 1.00 PTGS1 (0.61) PTGS1GSTK1NOD1FOLH1GSR
SCHEMBL523606 0.96 PTGS1 (0.62) PTGS1GSTK1NOD1FOLH1SLC6A5
SCHEMBL523605 0.96 PTGS1 (0.62) PTGS1GSTK1NOD1FOLH1SLC6A5
SCHEMBL12867548 0.91 PTGS1 (0.57) PTGS1GSTK1NOD1FOLH1GSR
SCHEMBL12867529 0.91 PTGS1 (0.57) PTGS1GSTK1NOD1FOLH1GSR
SCHEMBL13147757 0.91 NOD1 (0.53) PTGS1GSTK1NOD1FOLH1GSR
SCHEMBL522417 0.91 NOD1 (0.53) PTGS1GSTK1NOD1FOLH1GSR
SCHEMBL20179363 0.90 PTGS1 (0.70) PTGS1GSTK1NOD1FOLH1GSR
SCHEMBL431292 0.89 NOD1 (0.65) PTGS1GSTK1NOD1FOLH1GSR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0460189-A4 PRODUCTION OF BIOLOGICALLY ACTIVE PLATELET-DERIVED GROWTH FACTOR FROM HIGH EXPRESSION HOST CELL SYSTEMS 1993-05-26 EP claimed
EP-0460189-A1 PRODUCTION OF BIOLOGICALLY ACTIVE PLATELET-DERIVED GROWTH FACTOR FROM HIGH EXPRESSION HOST CELL SYSTEMS AMGEN INC. (US) 1991-12-11 EP claimed
WO-1991008762-A1 PRODUCTION OF BIOLOGICALLY ACTIVE PLATELET-DERIVED GROWTH FACTOR FROM HIGH EXPRESSION HOST CELL SYSTEMS AMGEN INC. (US) 1991-06-27 WO claimed
EP-2078033-B1 ISOTOPICALLY LABELED TRAPPING AGENT AND METHOD FOR IDENTIFYING REACTIVE METABOLITES JANSSEN PHARMACEUTICA NV (BE) 2011-03-09 EP disclosed
US-7884186-B2 Such as 6-amino-2-[2-(4-amino-4-carboxy-butyrylamino)-3-mercapto-propionylamino]-hexanoic acid; cytochorme p-450; drug screening; eliminates false positives; mass spectrometry JANSSEN PHARMACEUTICA NV (BE) 2011-02-08 US disclosed
US-7884186-B2 Such as 6-amino-2-[2-(4-amino-4-carboxy-butyrylamino)-3-mercapto-propionylamino]-hexanoic acid; cytochorme p-450; drug screening; eliminates false positives; mass spectrometry JANSSEN PHARMACEUTICA NV (BE) 2011-02-08 US disclosed
EP-2078033-A2 ISOTOPICALLY LABELED TRAPPING AGENT AND METHOD FOR IDENTIFYING REACTIVE METABOLITES JANSSEN PHARMACEUTICA N.V. (BE) 2009-07-15 EP disclosed
WO-2008042634-A2 ISOTOPICALLY LABELED TRAPPING AGENT AND METHOD FOR IDENTIFYING REACTIVE METABOLITES JANSSEN PHARMACEUTICA, N.V. (BE) 2008-04-10 WO disclosed
US-20080081349-A1 ISOTOPICALLY LABELED TRAPPING AGENT AND METHOD FOR IDENTIFYING REACTIVE METABOLITES JANSSEN PHARMACEUTICA N. V. (BE) 2008-04-03 US disclosed
US-20080081349-A1 ISOTOPICALLY LABELED TRAPPING AGENT AND METHOD FOR IDENTIFYING REACTIVE METABOLITES JANSSEN PHARMACEUTICA N. V. (BE) 2008-04-03 US disclosed
US-5428135-A Production of platelet-derived growth factor B-chain heterodimers from high expression host cell system AMGEN INC. (US) 1995-06-27 US disclosed
EP-0460189-A4 PRODUCTION OF BIOLOGICALLY ACTIVE PLATELET-DERIVED GROWTH FACTOR FROM HIGH EXPRESSION HOST CELL SYSTEMS 1993-05-26 EP disclosed
EP-0460189-A1 PRODUCTION OF BIOLOGICALLY ACTIVE PLATELET-DERIVED GROWTH FACTOR FROM HIGH EXPRESSION HOST CELL SYSTEMS AMGEN INC. (US) 1991-12-11 EP disclosed
WO-1991008762-A1 PRODUCTION OF BIOLOGICALLY ACTIVE PLATELET-DERIVED GROWTH FACTOR FROM HIGH EXPRESSION HOST CELL SYSTEMS AMGEN INC. (US) 1991-06-27 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 (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-20080081349-A1 ISOTOPICALLY LABELED TRAPPING AGENT AND METHOD FOR IDENTIFYING REACTIVE METABOLITES ABCG2, SAMHD1, NSF PTGS1 2285/4885GSTK1 938/4885NOD1 4322/4885

“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.