SCHEMBL858574

SCHEMBL858574

NC(=O)c1ccc(SCC(NC(=O)CCC(N)C(=O)O)C(=O)NCC(=O)O)c(N)c1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.54
GSTK1 Q9Y2Q3 1/20 0.54
GLO1 Q04760 6/20 0.48
NOD1 Q9Y239 3/20 0.35
LTA4H P09960 1/20 0.34
FOLH1 Q04609 1/20 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
SCHEMBL15318518 0.90 PTGS1 (0.52) PTGS1GSTK1GLO1NOD1FOLH1
SCHEMBL859001 0.88 PTGS1 (0.49) PTGS1GSTK1GLO1NOD1
SCHEMBL858563 0.87 PTGS1 (0.48) PTGS1GSTK1GLO1
SCHEMBL20856994 0.87 PTGS1 (0.48) PTGS1GSTK1GLO1
SCHEMBL8214588 0.84 KDM4E (0.38) PTGS1GSTK1GLO1
SCHEMBL5426903 0.82 PTGS1 (0.56) PTGS1GSTK1GLO1LTA4H
SCHEMBL11871240 0.82 PTGS1 (0.56) PTGS1GSTK1GLO1NOD1LTA4H
SCHEMBL5426926 0.82 PTGS1 (0.56) PTGS1GSTK1GLO1LTA4H
SCHEMBL11871268 0.82 PTGS1 (0.56) PTGS1GSTK1GLO1NOD1LTA4H
SCHEMBL859160 0.82 PTGS1 (0.51) PTGS1GSTK1GLO1NOD1LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143447-B2 Benzamide precursor with sulfur substituent; poly-ADP-ribose polymerase inhibitors, antitumor agents; leukemia, breast, ovarian, lung, bladder, prostate, pancreatic, and cervical cancers BIPAR SCIENCES, INC. (US) 2012-03-27 US disclosed
US-8143447-B2 Benzamide precursor with sulfur substituent; poly-ADP-ribose polymerase inhibitors, antitumor agents; leukemia, breast, ovarian, lung, bladder, prostate, pancreatic, and cervical cancers BIPAR SCIENCES, INC. (US) 2012-03-27 US disclosed
US-20080103104-A1 TREATMENT OF CANCER BIPAR SCIENCES, INC. (US) 2008-05-01 US disclosed
US-20080103104-A1 TREATMENT OF CANCER BIPAR SCIENCES, INC. (US) 2008-05-01 US disclosed
US-20080103208-A1 INHIBITION OF FATTY ACID SYNTHESIS BY PARP INHIBITORS AND METHODS OF TREATMENT THEREOF BIPAR SCIENCES, INC. (US) 2008-05-01 US disclosed
US-20080103208-A1 INHIBITION OF FATTY ACID SYNTHESIS BY PARP INHIBITORS AND METHODS OF TREATMENT THEREOF BIPAR SCIENCES, INC. (US) 2008-05-01 US disclosed
WO-2008030891-A2 INHIBITION OF FATTY ACID SYNTHESIS BY PARP INHIBITORS AND METHODS OF TREATMENT THEREOF BIPAR SCIENCES, INC. (US) 2008-03-13 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-20080103208-A1 INHIBITION OF FATTY ACID SYNTHESIS BY PARP INHIBITORS AND METHODS OF TREATMENT THEREOF PARP2, PARP12, PARP3 PTGS1 198/4885GSTK1 1100/4885GLO1 2299/4885
US-20080103104-A1 TREATMENT OF CANCER PARP1, PARP2, PARP3 PTGS1 1042/4885GSTK1 917/4885GLO1 2118/4885

“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.