SCHEMBL7597825

SCHEMBL7597825

CCC(=O)N(Cc1ccc(-c2ccccc2)cc1)c1cc(C(=O)O)ccc1CC[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 6/20 0.45
ALOX5 P09917 7/20 0.41
PTGES O14684 6/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.38
AOC3 Q16853 2/20 0.38
PTGES2 Q9H7Z7 1/20 0.37
MEP1B Q16820 1/20 0.37
BCL2 P10415 1/20 0.37
HCAR3 P49019 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
SCHEMBL7594893 0.90 LTB4R2 (0.42) LTB4R2ALOX5PTGESAOC3PTGES2
SCHEMBL7593565 0.85 LTB4R2 (0.43) LTB4R2HCAR3
SCHEMBL7598805 0.83 TSPO (0.43) LTB4R2HCAR3
SCHEMBL7592924 0.81 LTB4R2 (0.48) LTB4R2HCAR3
SCHEMBL7590647 0.81 MAPT (0.40) LTB4R2HCAR3
SCHEMBL7591466 0.80 LTB4R2 (0.43) LTB4R2
SCHEMBL7596184 0.78 LTB4R2 (0.39) LTB4R2ALOX5AOC3PTGES2BCL2
SCHEMBL7591701 0.78 LTB4R2 (0.41) LTB4R2
SCHEMBL7595241 0.78 PTGES (0.46) ALOX5PTGES
SCHEMBL7595231 0.77 ALDH1A1 (0.37) LTB4R2HCAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020082280-A1 Method of inhibiting neoplastic cells with benzimidazole derivatives OSI PHARMACEUTICALS, INC. 2002-06-27 US disclosed
US-6348032-B1 POTENT COMPOUNDS THAT INDUCE APOPTOSIS IN NEOPLASTIC CELLS (BUT NOT SUBSTANTIALLY IN NORMAL CELLS), WITHOUT SUBSTANTIALLY INHIBITING PGE-2. CELL PATHWAYS, INC. 2002-02-19 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-20020082280-A1 Method of inhibiting neoplastic cells with benzimidazole derivatives MKI67, CCNI, TMBIM6 LTB4R2 1901/4885ALOX5 1265/4885PTGES 853/4885

“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.