SCHEMBL6550370

SCHEMBL6550370

O=C(O)CN1CC[N]CCN(CC(=O)O)CCN(CC(=O)O)CC1

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.50
SLC6A9 P48067 1/20 0.40
S1PR1 P21453 1/20 0.35
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
TSHR P16473 1/20 0.33
TGM2 P21980 1/20 0.33
GAA P10253 1/20 0.32
ALDH1A1 P00352 4/20 0.32
STAT6 P42226 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PDE4B Q07343 1/20 0.32
MAPT P10636 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
SCHEMBL5001 0.98 HSD17B10 (0.52) HSD17B10SLC6A9S1PR1ITGB3ITGA2B
SCHEMBL2916590 0.89 HSD17B10 (0.45) HSD17B10SLC6A9ITGB3ITGA2BTSHR
Tetraxetan SCHEMBL2017956 0.84 HSD17B10 (0.64) HSD17B10SLC6A9S1PR1TSHRGAA
SCHEMBL321989 0.84 HSD17B10 (0.64) HSD17B10SLC6A9S1PR1TSHRGAA
SCHEMBL3660521 0.84
SCHEMBL6848102 0.84 HSD17B10 (0.64) HSD17B10SLC6A9S1PR1TSHRGAA
Tetraxetan SCHEMBL2635294 0.84 HSD17B10 (0.64) HSD17B10SLC6A9S1PR1TSHRGAA
Tetraxetan SCHEMBL18018 0.84 HSD17B10 (0.64) HSD17B10SLC6A9S1PR1TSHRGAA
SCHEMBL173508 0.84 HSD17B10 (0.64) HSD17B10SLC6A9S1PR1TSHRGAA
SCHEMBL6744121 0.84 HSD17B10 (0.64) HSD17B10SLC6A9S1PR1TSHRGAA

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0755385-B1 CHELANT COMPOUNDS AMERSHAM HEALTH AS (NO) 2004-02-11 EP claimed
US-5798089-A Chelant moieties linked to an aryl moiety by an interrupted alkylene linker NYCOMED SALUTAR, INC. (US) 1998-08-25 US claimed
EP-0755385-A1 CHELANT COMPOUNDS NYCOMED IMAGING AS (NO) 1997-01-29 EP claimed
WO-1995028392-A1 CHELANT COMPOUNDS NYCOMED SALUTAR INC. (US) 1995-10-26 WO claimed
US-20040131551-A1 Enhanced relaxivity monomeric and multimeric compounds BRISTOL-MYERS SQUIBB COMPANY 2004-07-08 US disclosed
US-6693190-B1 TETRAAZACYCLODODECANE MACROCYCLE DERIVATIVES INCLUDING METAL COMPLEXES; MAGNETIC RESONANCE IMAGING AGENTS BRACCO INTERNATIONAL B.V. (NL) 2004-02-17 US disclosed
EP-0708761-B1 ENHANCED RELAXIVITY MONOMERIC AND MULTIMERIC COMPOUNDS BRACCO INT BV (NL) 2002-08-14 EP disclosed
WO-1995031444-A1 ENHANCED RELAXIVITY MONOMERIC AND MULTIMERIC COMPOUNDS BRACCO INTERNATIONAL B.V. (NL) 1995-11-23 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 (1 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-20040131551-A1 Enhanced relaxivity monomeric and multimeric compounds H1-2, H1-0, H1-3 HSD17B10 4183/4885SLC6A9 3108/4885S1PR1 2386/4885

“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.