SCHEMBL5758718

SCHEMBL5758718

[c]1[nH]c(OCc2ccco2)c2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.42
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
HPGD P15428 1/20 0.37
ALDH1A1 P00352 2/20 0.36
TSHR P16473 4/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 3/20 0.33
HTT P42858 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
STAT3 P40763 1/20 0.33
RAB9A P51151 1/20 0.33
HIF1A Q16665 1/20 0.33
MAPT P10636 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL5757727 0.77 KLK1 (0.32)
SCHEMBL5754484 0.73 HPGD (0.38) GAAGABRA1GABRG2GABRB3GABRA5
SCHEMBL5760924 0.73 GAA (0.42) GAAGABRA1GABRG2GABRB3GABRA5
SCHEMBL5757074 0.72 KDM4E (0.43) GAAGABRA1GABRG2GABRB3GABRA5
SCHEMBL5758730 0.72 GAA (0.43) GAAGABRA1GABRG2GABRB3GABRA5
SCHEMBL5760463 0.69 GABRA1 (0.40) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL5756551 0.69 CHRM2 (0.35) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL5759284 0.67 GAA (0.47) GAAGABRA1GABRG2GABRB3GABRA5
SCHEMBL1607082 0.67 GAA (0.70) GAAGABRA1GABRG2GABRB3GABRA5
SCHEMBL5758395 0.66 GAA (0.40) GAAGABRA1GABRG2GABRB3GABRA5

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 10 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-20030008901-A1 Hydroxy pipecolate hydroxamic acid derivatives MCCLURE KIM F (US) 2003-01-09 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-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 (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-20030181441-A1 TACE INHIBITORS ADAMTS5, ADAMTS1, MMP2 GAA 172/4885GABRA1 4862/4885GABRG2 4874/4885
US-20050215549-A1 TACE inhibitors ADAMTS5, ADAMTS1, MMP2 GAA 279/4885GABRA1 4874/4885GABRG2 4876/4885
US-20030008901-A1 Hydroxy pipecolate hydroxamic acid derivatives MMP1, MMP10, MMP3 GAA 1320/4885GABRA1 4698/4885GABRG2 4801/4885

“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.