SCHEMBL5756477

SCHEMBL5756477

[c]1ncccc1OCc1ccco1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.45
TDP1 Q9NUW8 2/20 0.40
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 5/20 0.39
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
HPGD P15428 2/20 0.34
MAPT P10636 1/20 0.34
POLB P06746 1/20 0.34
APEX1 P27695 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
LMNA P02545 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ADORA3 P0DMS8 1/20 0.33

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
SCHEMBL5757975 0.77 GAA (0.45) GAATDP1MAPK1ALDH1A1GABRA1
SCHEMBL5759695 0.77 KLK1 (0.31)
SCHEMBL5757952 0.74 GAA (0.45) GAATDP1MAPK1ALDH1A1GABRA1
SCHEMBL5759777 0.74 GAA (0.45) GAATDP1MAPK1ALDH1A1GABRA1
SCHEMBL5759995 0.74 KDM4E (0.31) ALDH1A1MAPT
SCHEMBL5759284 0.73 GAA (0.47) GAATDP1MAPK1ALDH1A1GABRA1
SCHEMBL5759059 0.73 GAA (0.44) GAATDP1MAPK1ALDH1A1GABRA1
SCHEMBL224231 0.73 LTA4H (0.46) GAATDP1MAPK1ALDH1A1MAPT
SCHEMBL9868456 0.71 ALDH1A1 (0.34) TDP1MAPK1ALDH1A1HPGDMAPT
SCHEMBL5758201 0.71 GAA (0.49) GAATDP1MAPK1ALDH1A1GABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

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 GAA 172/4885TDP1 788/4885MAPK1 2734/4885
US-20050215549-A1 TACE inhibitors ADAMTS5, ADAMTS1, MMP2 GAA 279/4885TDP1 893/4885MAPK1 3326/4885
US-20020019534-A1 Gem substituted hydroxamic acids MMP14, TOP2A, ADAMTS1 GAA 131/4885TDP1 899/4885MAPK1 3905/4885
US-20030008901-A1 Hydroxy pipecolate hydroxamic acid derivatives MMP1, MMP10, MMP3 GAA 1320/4885TDP1 1553/4885MAPK1 3202/4885

“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.