SCHEMBL7596183

SCHEMBL7596183

CC(c1ccc(C(=O)O)cc1NC(=O)CCc1ccc(-c2ccccc2)cc1F)[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 2/20 0.47
HCAR2 Q8TDS4 6/20 0.43
SELL P14151 1/20 0.39
SELP P16109 1/20 0.39
SELE P16581 1/20 0.39
SRD5A2 P31213 1/20 0.38
HDAC1 Q13547 1/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
F10 P00742 1/20 0.38
ACLY P53396 1/20 0.37
MAPT P10636 2/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 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
SCHEMBL7594892 0.86 LTB4R (0.62) LTB4RHCAR2SELLSELPSELE
SCHEMBL7594764 0.86 LTB4R (0.47) LTB4RHCAR2SELLSELPSELE
SCHEMBL7593523 0.85 LTB4R (0.45) LTB4RHCAR2SELLSELPSELE
SCHEMBL7593031 0.84 SELL (0.44) LTB4RSELLSELPSELEPOLB
SCHEMBL7598800 0.83 LTB4R (0.54) LTB4RSELLSELPSELEPOLB
SCHEMBL7591464 0.83 LTB4R (0.51) LTB4RHCAR2SELLSELPSELE
SCHEMBL7596740 0.82 LMNA (0.42) LTB4RSELLSELPSELEF10
SCHEMBL7596121 0.81 LTB4R (0.53) LTB4RRAB9AMAPTALDH1A1LMNA
SCHEMBL7594869 0.80 LTB4R (0.41) LTB4RSELLSELPSELEPOLB
SCHEMBL7595154 0.80 GAA (0.42) LTB4RSELLSELPSELEPOLB

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 1803/4885HCAR2 4010/4885SELL 4144/4885

“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.