SCHEMBL5755603

SCHEMBL5755603

[c]1ccccc1OCc1cc2ccccc2s1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AGXT P21549 1/20 0.55
CYP2A6 P11509 3/20 0.47
ASIC3 Q9UHC3 1/20 0.47
LOXL2 Q9Y4K0 1/20 0.47
ADRB2 P07550 1/20 0.44
CHRNA7 P36544 1/20 0.42
ADRA1D P25100 2/20 0.38
APP P05067 1/20 0.34
IDH1 O75874 1/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34

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
SCHEMBL5755606 0.77 AGXT (0.57) AGXTCYP2A6ASIC3LOXL2ADRB2
SCHEMBL5319433 0.75 AGXT (0.72) AGXTCYP2A6ASIC3LOXL2ADRB2
SCHEMBL10324535 0.74 AGXT (0.38) AGXTCYP2A6ASIC3LOXL2ADRB2
SCHEMBL7086883 0.72 AGXT (0.58) AGXTCYP2A6ASIC3LOXL2ADRB2
SCHEMBL2088811 0.72 AGXT (0.68) AGXTCYP2A6ASIC3LOXL2ADRB2
SCHEMBL3150291 0.72 AGXT (0.68) AGXTCYP2A6ASIC3LOXL2ADRB2
SCHEMBL5757676 0.72 NPC1 (0.61) ASIC3
SCHEMBL445160 0.71 HTT (0.41)
SCHEMBL30354825 0.71 AGXT (0.61) AGXTCYP2A6ASIC3LOXL2ADRB2
SCHEMBL5758322 0.70 AGXT (0.55) AGXTLOXL2DRD2

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 15 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
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 2803/4885CYP2A6 1588/4885ASIC3 3153/4885
US-20050215549-A1 TACE inhibitors ADAMTS5, ADAMTS1, MMP2 AGXT 2327/4885CYP2A6 2026/4885ASIC3 4061/4885
US-20020019534-A1 Gem substituted hydroxamic acids MMP14, TOP2A, ADAMTS1 AGXT 107/4885CYP2A6 1957/4885ASIC3 3689/4885
US-20030008901-A1 Hydroxy pipecolate hydroxamic acid derivatives MMP1, MMP10, MMP3 AGXT 3066/4885CYP2A6 2334/4885ASIC3 2336/4885

“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.