SCHEMBL5759656

SCHEMBL5759656

[c]1ccn(OCc2cccs2)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HSD17B10 Q99714 2/20 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
GAA P10253 1/20 0.32
HTT P42858 2/20 0.32
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
HPGD P15428 2/20 0.32
GBA1 P04062 1/20 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
SCHEMBL5757248 0.69 GABRA1 (0.36) ALDH1A1NPC1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL558211 0.66 GRM4 (0.35) ALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL5759136 0.66
SCHEMBL5757566 0.66 SMN1; SMN2 (0.33) ALDH1A1NPC1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL6733610 0.65 TAAR1 (0.50) ALDH1A1NPC1RAB9AL3MBTL1SLC1A3
SCHEMBL920854 0.65 HPGD (0.47) ALDH1A1NPC1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL28446140 0.64 TAAR1 (0.41) NPC1RAB9AL3MBTL1SMN1; SMN2HSD17B10
Hydrochloric Acid SCHEMBL1769295 0.64 ALDH1A1 (0.47) ALDH1A1NPC1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL5757777 0.63 ALOX15 (0.40) ALDH1A1NPC1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL22305088 0.63 F9 (0.49) ALDH1A1L3MBTL1SMN1; SMN2SLC1A3SLC1A2

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 ALDH1A1 2961/4885NPC1 1072/4885RAB9A 399/4885
US-20050215549-A1 TACE inhibitors ADAMTS5, ADAMTS1, MMP2 ALDH1A1 2994/4885NPC1 1698/4885RAB9A 502/4885
US-20030008901-A1 Hydroxy pipecolate hydroxamic acid derivatives MMP1, MMP10, MMP3 ALDH1A1 2265/4885NPC1 3537/4885RAB9A 1158/4885

“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.