SCHEMBL7600441

SCHEMBL7600441

CC(c1ccc(C(=O)O)cc1NC(=O)CCc1ccc(OCc2ccccc2)cc1)[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 1/20 0.51
LNPEP Q9UIQ6 2/20 0.47
LTA4H P09960 1/20 0.45
EPHX2 P34913 1/20 0.45
FFAR1 O14842 3/20 0.45
FFAR4 Q5NUL3 1/20 0.45
MAPT P10636 2/20 0.45
NR4A1 P22736 1/20 0.45
NR4A2 P43354 1/20 0.45
NR4A3 Q92570 1/20 0.45
NR1H4 Q96RI1 1/20 0.45
LMNA P02545 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
GAA P10253 1/20 0.43
RAB9A P51151 1/20 0.43
MYC P01106 1/20 0.43
MAX P61244 1/20 0.43
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43

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
SCHEMBL7598800 0.91 LTB4R (0.54) LTB4RMAPTLMNAGAARAB9A
SCHEMBL7592167 0.90 LNPEP (0.47) LNPEPMAPTNR4A1NR4A2NR4A3
SCHEMBL7591514 0.88 LTB4R (0.55) LTB4RMAPTGAA
SCHEMBL7594892 0.88 LTB4R (0.62) LTB4RMAPTLMNAGAARAB9A
SCHEMBL7595238 0.85 LTB4R (0.49) LTB4RMAPTLMNAGAARAB9A
SCHEMBL7593949 0.82 LTB4R (0.48) LTB4REPHX2MAPTNR1H4LMNA
SCHEMBL7591464 0.82 LTB4R (0.51) LTB4RMAPTLMNAGAARAB9A
SCHEMBL7600452 0.81 LTB4R (0.48) LTB4RLNPEPLTA4HEPHX2FFAR1
SCHEMBL7593587 0.80 TRPV1 (0.45) LTB4RMAPTLMNAGAARAB9A
SCHEMBL7591697 0.80 LTB4R (0.48) LTB4RFFAR1MAPTLMNAGAA

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 LTB4R 1803/4885LNPEP 3436/4885LTA4H 1574/4885

“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.