SCHEMBL5758319

SCHEMBL5758319

[c]1nc(OCc2cccs2)cc2ccccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.36
F9 P00740 1/20 0.35
F10 P00742 1/20 0.35
MAPK14 Q16539 1/20 0.35
PDK2 Q15119 1/20 0.34
TSHR P16473 2/20 0.34
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
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP2C19 P33261 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
L3MBTL1 Q9Y468 5/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL5758030 0.80 NTRK1 (0.33) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL5756817 0.77 CYP3A4 (0.34) HTTTSHRCYP3A4CYP2D6CYP2C19
SCHEMBL5758366 0.75 HDAC3 (0.35) HTTTSHRSMN1; SMN2MAPTNPC1
SCHEMBL5758395 0.75 GAA (0.40) HTTTSHRGABRA1GABRG2GABRB3
SCHEMBL5760008 0.74 GRM5 (0.41) CYP1A2CYP3A4CYP2D6SMN1; SMN2ALDH1A1
SCHEMBL5757132 0.72 TSHR (0.37) HTTF9F10PDK2TSHR
SCHEMBL5761138 0.71 IDO1 (0.36) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7530934 0.69 CYP2D6 (0.45) HTTMAPK14PDK2GABRA1GABRG2
SCHEMBL5759820 0.69 HTT (0.37) HTTF9F10MAPK14PDK2
SCHEMBL5757477 0.69 HTT (0.37) HTTF9F10MAPK14PDK2

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 HTT 1917/4885F9 2808/4885F10 1154/4885
US-20050215549-A1 TACE inhibitors ADAMTS5, ADAMTS1, MMP2 HTT 1371/4885F9 2870/4885F10 985/4885
US-20030008901-A1 Hydroxy pipecolate hydroxamic acid derivatives MMP1, MMP10, MMP3 HTT 102/4885F9 3814/4885F10 2486/4885

“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.