SCHEMBL5758322

SCHEMBL5758322

[c]1ccccc1OCc1cc2ccccc2o1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AGXT P21549 1/20 0.55
LOXL2 Q9Y4K0 1/20 0.47
SLC6A4 P31645 1/20 0.42
HTR1A P08908 8/20 0.38
HTR2B P41595 8/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
CYP19A1 P11511 1/20 0.38
DRD2 P14416 4/20 0.37
ADAMTS4 O75173 1/20 0.36
ADRA2A P08913 1/20 0.36

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
SCHEMBL1171708 0.77 AGXT (0.31) AGXTSLC6A4
SCHEMBL7201620 0.77 AGXT (0.57) AGXTLOXL2SLC6A4HTR1AHTR2B
SCHEMBL10323412 0.73 AGXT (0.37) AGXTLOXL2
SCHEMBL1520921 0.72 AGXT (1.00) AGXTLOXL2SLC6A4HTR1AHTR2B
SCHEMBL14145540 0.72 AGXT (0.68) AGXTLOXL2HTR1AHTR2BESR1
SCHEMBL5757002 0.72 NPC1 (0.51) LOXL2DRD2
SCHEMBL5759284 0.71 GAA (0.47)
SCHEMBL5755603 0.70 AGXT (0.55) AGXTLOXL2DRD2
SCHEMBL120103 0.70 AGXT (0.55) AGXTLOXL2HTR1AHTR2BDRD2
SCHEMBL24087673 0.69 AGXT (0.64) AGXTLOXL2HTR1AHTR2BESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1104412-B1 TACE INHIBITORS PFIZER PROD INC (US) 2005-06-15 EP claimed
US-20030181441-A1 TACE INHIBITORS McCLURE Kim (US) 2003-09-25 US claimed
EP-1104412-A1 TACE INHIBITORS Pfizer Products Inc. (US) 2001-06-06 EP claimed
WO-2000009492-A1 TACE INHIBITORS PFIZER PRODUCTS INC. (US) 2000-02-24 WO claimed
EP-1104403-B1 HYDROXY PIPECOLATE HYDROXAMIC ACID DERIVATIVES AS MMP INHIBITORS PFIZER PROD INC (US) 2006-05-10 EP disclosed
US-20050215549-A1 TACE inhibitors MCCLURE KIM F 2005-09-29 US disclosed
EP-1104412-B1 TACE INHIBITORS PFIZER PROD INC (US) 2005-06-15 EP disclosed
US-20030181441-A1 TACE INHIBITORS McCLURE Kim (US) 2003-09-25 US disclosed
US-6608104-B2 Antiarthritic agents; anticancer agents PFIZER INC 2003-08-19 US disclosed
US-20030008901-A1 Hydroxy pipecolate hydroxamic acid derivatives MCCLURE KIM F (US) 2003-01-09 US disclosed
US-20020019534-A1 Gem substituted hydroxamic acids PFIZER INC. 2002-02-14 US disclosed
US-6329397-B1 TREATMENT OF A CONDITION SELECTED FROM THE GROUP CONSISTING OF ARTHRITIS, CANCER, AND OTHER DISEASES CHARACTERIZED BY MATRIX METALLOPROTEINASE OR MAMMALIAN REPROLYSIN ACTIVITY. PFIZER 2001-12-11 US disclosed
EP-1138680-A1 Gem substituted sulfonyl hydroxamic acids as MMP inhibitors Pfizer Products Inc. (US) 2001-10-04 EP disclosed
EP-1104412-A1 TACE INHIBITORS Pfizer Products Inc. (US) 2001-06-06 EP disclosed
EP-1104403-A1 HYDROXY PIPECOLATE HYDROXAMIC ACID DERIVATIVES AS MMP INHIBITORS Pfizer Products Inc. (US) 2001-06-06 EP disclosed
WO-2000009485-A1 HYDROXY PIPECOLATE HYDROXAMIC ACID DERIVATIVES AS MMP INHIBITORS PFIZER PRODUCTS INC. (US) 2000-02-24 WO disclosed
WO-2000009492-A1 TACE INHIBITORS PFIZER PRODUCTS INC. (US) 2000-02-24 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 (4 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-20030181441-A1 TACE INHIBITORS ADAMTS5, ADAMTS1, MMP2 AGXT 2803/4885LOXL2 2104/4885SLC6A4 3872/4885
US-20050215549-A1 TACE inhibitors ADAMTS5, ADAMTS1, MMP2 AGXT 2327/4885LOXL2 2296/4885SLC6A4 4029/4885
US-20020019534-A1 Gem substituted hydroxamic acids MMP14, TOP2A, ADAMTS1 AGXT 107/4885LOXL2 1604/4885SLC6A4 4170/4885
US-20030008901-A1 Hydroxy pipecolate hydroxamic acid derivatives MMP1, MMP10, MMP3 AGXT 3066/4885LOXL2 1273/4885SLC6A4 3319/4885

“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.