SCHEMBL5760001

SCHEMBL5760001

[c]1ccccc1OCc1nccc2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 2/20 0.39
CYP2A6 P11509 1/20 0.39
F12 P00748 1/20 0.39
NCF1 P14598 1/20 0.39
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
BACE1 P56817 1/20 0.39
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
ACHE P22303 1/20 0.34
MMP1 P03956 1/20 0.34
MMP13 P45452 1/20 0.34
ADAM17 P78536 1/20 0.34
PLG P00747 1/20 0.33
MAPT P10636 3/20 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
SCHEMBL5760005 0.77 PLAU (0.40) PLAUCYP2A6F12NCF1NOS3
SCHEMBL5609802 0.76 CNR1 (0.47) MAPTLMNANPC1RAB9ASMN1; SMN2
SCHEMBL10546269 0.76 KCNH2 (0.47) PLAUCYP2A6F12NCF1NOS3
SCHEMBL27514656 0.75 PLAU (0.41) PLAUCYP2A6F12NCF1NOS3
SCHEMBL13018765 0.74 PLAU (0.46) PLAUCYP2A6F12NCF1NOS3
SCHEMBL4263924 0.74 CYP2A6 (0.50) PLAUCYP2A6F12NCF1NOS3
SCHEMBL5757410 0.72 ABCB1 (0.33) ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4268325 0.71 CYP2A6 (0.47) PLAUCYP2A6F12NCF1NOS3
SCHEMBL5060028 0.71 ALDH1A1 (0.46) PLAUCYP2A6F12NCF1NOS3
SCHEMBL10663371 0.71 TRPA1 (0.47) PLAUCYP2A6F12NCF1NOS3

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 13 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-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 PLAU 355/4885CYP2A6 1588/4885F12 1756/4885
US-20050215549-A1 TACE inhibitors ADAMTS5, ADAMTS1, MMP2 PLAU 393/4885CYP2A6 2026/4885F12 632/4885
US-20020019534-A1 Gem substituted hydroxamic acids MMP14, TOP2A, ADAMTS1 PLAU 370/4885CYP2A6 1957/4885F12 1242/4885
US-20030008901-A1 Hydroxy pipecolate hydroxamic acid derivatives MMP1, MMP10, MMP3 PLAU 419/4885CYP2A6 2334/4885F12 3461/4885

“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.