SCHEMBL4268528

SCHEMBL4268528

CCC(C(=O)NC(CC(C)C)C(=O)O)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MME P08473 4/20 0.61
CRHBP P24387 2/20 0.52
CRHR2 Q13324 2/20 0.52
KCNQ2 O43526 2/20 0.51
MAPT P10636 1/20 0.51
ALDH1A1 P00352 1/20 0.50
POLB P06746 1/20 0.50
MMP9 P14780 1/20 0.49
MMP8 P22894 1/20 0.49
MMP14 P50281 1/20 0.49
LMNA P02545 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
LTA4H P09960 1/20 0.48

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
SCHEMBL9831290 0.84 MME (0.61) MMECRHBPCRHR2KCNQ2MAPT
SCHEMBL9831283 0.84 MME (0.61) MMECRHBPCRHR2KCNQ2MAPT
SCHEMBL1449796 0.82 KCNQ2 (0.55) MMECRHBPCRHR2KCNQ2MAPT
SCHEMBL9828899 0.81 MME (0.63) MMECRHBPCRHR2KCNQ2MAPT
SCHEMBL9828894 0.81 MME (0.63) MMECRHBPCRHR2KCNQ2MAPT
SCHEMBL29359001 0.81 MME (0.63) MMEALDH1A1MMP9MMP8MMP14
SCHEMBL8344033 0.81 MME (0.63) MMEALDH1A1MMP9MMP8MMP14
SCHEMBL2328957 0.80 KCNQ2 (0.49) MMECRHBPCRHR2KCNQ2MAPT
SCHEMBL2328964 0.80 KCNQ2 (0.49) MMECRHBPCRHR2KCNQ2MAPT
SCHEMBL9295703 0.79 MME (0.54) MMEALDH1A1MMP9MMP8MMP14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160166508-A1 Method and Composition for Treating Inflammatory Disorders MEDA AB (SE) 2016-06-16 US disclosed
US-20090220583-A1 Method and composition for treating inflammatory disorders MEDA AB (SE) 2009-09-03 US disclosed
US-20080081835-A1 Use of Ltb4 Inhibitors for the Treatment of B-Cell Leukemias and Lymphomas BIOLIPOX AB (SE) 2008-04-03 US disclosed
EP-1888033-A2 METHOD AND COMPOSITION FOR TREATING INFLAMMATORY DISORDERS Biolipox AB (SE) 2008-02-20 EP disclosed
EP-1742622-A1 USE OF LTB4 INHIBITORS FOR THE TREATMENT OF B-CELL LEUKEMIAS AND LYMPHOMAS Biolipox AB (SE) 2007-01-17 EP disclosed
WO-2006131737-A2 METHOD AND COMPOSITION FOR TREATING INFLAMMATORY DISORDERS BIOLIPOX AB (SE) 2006-12-14 WO disclosed
WO-2005107725-A1 USE OF LTB4 INHIBITORS FOR THE TREATMENT OF B-CELL LEUKEMIAS AND LYMPHOMAS BIOLIPOX AB (SE) 2005-11-17 WO 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 (3 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-20090220583-A1 Method and composition for treating inflammatory disorders LIPA, HRH2, HRH1 MME 767/4885CRHBP 2490/4885CRHR2 1731/4885
US-20160166508-A1 Method and Composition for Treating Inflammatory Disorders LIPA, HRH2, HRH1 MME 767/4885CRHBP 2490/4885CRHR2 1731/4885
US-20080081835-A1 Use of Ltb4 Inhibitors for the Treatment of B-Cell Leukemias and Lymphomas LTB4R, LTA4H, LTA MME 4479/4885CRHBP 3341/4885CRHR2 4761/4885

“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.