SCHEMBL878883

SCHEMBL878883

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

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GLO1 Q04760 2/20 0.39
NOD1 Q9Y239 9/20 0.38
FOLH1 Q04609 2/20 0.37
PTGS1 P23219 1/20 0.36
GSTK1 Q9Y2Q3 1/20 0.36
LTA4H P09960 1/20 0.36
KIF11 P52732 1/20 0.34

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
SCHEMBL859003 0.85 NOD1 (0.42) GLO1NOD1FOLH1PTGS1GSTK1
SCHEMBL858566 0.82 ALDH1A1 (0.51)
SCHEMBL858574 0.77 PTGS1 (0.54) GLO1NOD1FOLH1PTGS1GSTK1
SCHEMBL15318518 0.75 PTGS1 (0.52) GLO1NOD1FOLH1PTGS1GSTK1
SCHEMBL8031472 0.74 APEX1 (0.44)
SCHEMBL13295134 0.74 ALDH1A1 (0.45) GLO1PTGS1GSTK1
SCHEMBL859001 0.73 PTGS1 (0.49) GLO1NOD1PTGS1GSTK1
SCHEMBL858563 0.73 PTGS1 (0.48) GLO1PTGS1GSTK1
SCHEMBL20856994 0.73 PTGS1 (0.48) GLO1PTGS1GSTK1
SCHEMBL859188 0.71 SMN1; SMN2 (0.44) GLO1PTGS1GSTK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120238601-A1 TREATMENT OF CANCER BIPAR SCIENCES, INC. (US) 2012-09-20 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-7994222-B2 Poly(ADP-ribose) polymerase inhibitor is preferably 3-nitro-4-iodobenzamide; administered orally, topically, parenerally, transdermally, or rectally; anticarcinogenic and antidiabetic agents; obesity, cardiovascular disease BIPAR SCIENCES, INC. (US) 2011-08-09 US 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-20120238601-A1 TREATMENT OF CANCER PARP1, PARP2, PARP3 GLO1 2118/4885NOD1 3579/4885FOLH1 58/4885

“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.