SCHEMBL7595154

SCHEMBL7595154

CC(c1ccc(C(=O)O)cc1NC(=O)CCc1ccccc1CS(=O)(=O)c1ccccc1)[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.42
POLB P06746 4/20 0.41
LTB4R Q15722 1/20 0.41
ALDH1A1 P00352 3/20 0.39
GRK2 P25098 2/20 0.39
CA12 O43570 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
LMNA P02545 2/20 0.39
KMT2A Q03164 2/20 0.38
PPARG P37231 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
NR2E3 Q9Y5X4 1/20 0.38
NCOR2 Q9Y618 1/20 0.38
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPT P10636 2/20 0.37
SELL P14151 1/20 0.37
SELP P16109 1/20 0.37
SELE P16581 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
SCHEMBL7593031 0.85 SELL (0.44) GAAPOLBLTB4RALDH1A1LMNA
SCHEMBL7593523 0.85 LTB4R (0.45) GAAPOLBLTB4RALDH1A1LMNA
SCHEMBL7594764 0.84 LTB4R (0.47) GAALTB4RALDH1A1LMNAMAPT
SCHEMBL7598800 0.83 LTB4R (0.54) GAAPOLBLTB4RALDH1A1LMNA
SCHEMBL7596121 0.83 LTB4R (0.53) GAALTB4RALDH1A1LMNAKMT2A
SCHEMBL7594892 0.81 LTB4R (0.62) GAALTB4RALDH1A1LMNAMAPT
SCHEMBL7596183 0.80 LTB4R (0.47) POLBLTB4RALDH1A1LMNAMAPT
SCHEMBL7596213 0.79 ALDH1A1 (0.51) POLBLTB4RALDH1A1LMNAKMT2A
SCHEMBL7595238 0.78 LTB4R (0.49) GAALTB4RALDH1A1LMNAMAPT
SCHEMBL7596740 0.78 LMNA (0.42) GAALTB4RALDH1A1LMNAKMT2A

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 GAA 708/4885POLB 192/4885LTB4R 1803/4885

“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.