SCHEMBL5757248

SCHEMBL5757248

[c]1nccn1OCc1cccs1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
ALDH1A1 P00352 3/20 0.32
GAA P10253 1/20 0.32
HTT P42858 2/20 0.32
MAPK1 P28482 1/20 0.32
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
TSHR P16473 1/20 0.31
L3MBTL1 Q9Y468 3/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
HSD17B10 Q99714 2/20 0.31

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
SCHEMBL27389179 0.70 TAAR1 (0.42) TAAR1NPC1RAB9ATSHRSMN1; SMN2
SCHEMBL5757566 0.69 SMN1; SMN2 (0.33) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL5759656 0.69 ALDH1A1 (0.33) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL5754479 0.67 GABRA1 (0.33) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL5757777 0.66 ALOX15 (0.40) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL6733610 0.65 TAAR1 (0.50) SLC1A3SLC1A2SLC1A1TAAR1ALDH1A1
SCHEMBL5758902 0.64 HTT (0.37) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL5757672 0.64 HTT (0.37) GABRA1GABRG2GABRB3GABRA5GABRA3
Hydrochloric Acid SCHEMBL1769295 0.64 ALDH1A1 (0.47) SLC1A3SLC1A2SLC1A1TAAR1ALDH1A1
SCHEMBL5759997 0.62 HTT (0.39) GABRA1GABRG2GABRB3GABRA5GABRA3

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-6608104-B2 Antiarthritic agents; anticancer agents PFIZER INC 2003-08-19 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

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 GABRA1 4862/4885GABRG2 4874/4885GABRB3 4831/4885
US-20050215549-A1 TACE inhibitors ADAMTS5, ADAMTS1, MMP2 GABRA1 4874/4885GABRG2 4876/4885GABRB3 4838/4885

“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.