SCHEMBL5757566

SCHEMBL5757566

[c]1nnnn1OCc1cccs1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.33
HSD17B10 Q99714 1/20 0.33
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
TSHR P16473 3/20 0.33
DRD4 P21917 2/20 0.33
DRD3 P35462 2/20 0.33
DRD2 P14416 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MGMT P16455 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
HTT P42858 2/20 0.32
MAPK1 P28482 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRG2 P18507 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
SCHEMBL5757248 0.69 GABRA1 (0.36) SMN1; SMN2HSD17B10SLC1A3SLC1A2SLC1A1
SCHEMBL5757777 0.66 ALOX15 (0.40) SMN1; SMN2HSD17B10TSHRKDM4EMAPT
SCHEMBL5759656 0.66 ALDH1A1 (0.33) SMN1; SMN2HSD17B10SLC1A3SLC1A2SLC1A1
SCHEMBL6733610 0.65 TAAR1 (0.50) SLC1A3SLC1A2SLC1A1TAAR1TSHR
SCHEMBL1849834 0.64
Hydrochloric Acid SCHEMBL1769295 0.64 ALDH1A1 (0.47) SMN1; SMN2HSD17B10SLC1A3SLC1A2SLC1A1
SCHEMBL23790911 0.62
SCHEMBL862369 0.62
SCHEMBL1145747 0.62
SCHEMBL23635740 0.62

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 7 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-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
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 (2 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 SMN1; SMN2 3890/4885HSD17B10 2714/4885SLC1A3 3595/4885
US-20050215549-A1 TACE inhibitors ADAMTS5, ADAMTS1, MMP2 SMN1; SMN2 3804/4885HSD17B10 2276/4885SLC1A3 3850/4885

“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.