SCHEMBL5002585

SCHEMBL5002585

O=C(O)CN1CCN(CC(=O)O)CCN(C[PH](=O)O)CCN(CC(=O)O)CC1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.47
▸ SLC6A9 P48067 1/20 0.38
▸ S1PR1 P21453 1/20 0.33
▸ ITGB3 P05106 2/20 0.31
▸ ITGA2B P08514 2/20 0.31
▸ GAA P10253 1/20 0.30
▸ ALDH1A1 P00352 3/20 0.30
▸ MAPT P10636 1/20 0.30
▸ ALOX15 P16050 1/20 0.30
▸ STAT6 P42226 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL18539112 1.00 HSD17B10 (0.47) HSD17B10SLC6A9S1PR1ITGB3ITGA2B
SCHEMBL29299536 1.00 HSD17B10 (0.47) HSD17B10SLC6A9S1PR1ITGB3ITGA2B
SCHEMBL29404629 0.83 — —
SCHEMBL13510843 0.83 — —
SCHEMBL173508 0.81 HSD17B10 (0.64) HSD17B10SLC6A9S1PR1GAAALDH1A1
Tetraxetan SCHEMBL18018 0.81 HSD17B10 (0.64) HSD17B10SLC6A9S1PR1GAAALDH1A1
Tetraxetan SCHEMBL2635294 0.81 HSD17B10 (0.64) HSD17B10SLC6A9S1PR1GAAALDH1A1
SCHEMBL6848102 0.81 HSD17B10 (0.64) HSD17B10SLC6A9S1PR1GAAALDH1A1
SCHEMBL321989 0.81 HSD17B10 (0.64) HSD17B10SLC6A9S1PR1GAAALDH1A1
Tetraxetan SCHEMBL2017956 0.81 HSD17B10 (0.64) HSD17B10SLC6A9S1PR1GAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080312430-A1 Method of Preparing or Synthesizing Polyazamacrocycle Derivatives THERAPHARM GMBH (CH) 2008-12-18 — — US disclosed
US-20080312430-A1 Method of Preparing or Synthesizing Polyazamacrocycle Derivatives THERAPHARM GMBH (CH) 2008-12-18 — — US disclosed
US-20080312430-A1 Method of Preparing or Synthesizing Polyazamacrocycle Derivatives THERAPHARM GMBH (CH) 2008-12-18 — — US disclosed
EP-1812453-A1 METHOD OF PREPARING OR SYNTHESIZING POLYAZAMACROCYCLE DERIVATIVES Therapharm GmbH (CH) 2007-08-01 — — EP disclosed
WO-2006045546-A1 METHOD OF PREPARING OR SYNTHESIZING POLYAZAMACROCYCLE DERIVATIVES THERAPHARM GMBH (CH) 2006-05-04 — — 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-20080312430-A1 Method of Preparing or Synthesizing Polyazamacrocycle Derivatives POLI, PARP1, DHPS HSD17B10 1028/4885SLC6A9 4481/4885S1PR1 1923/4885

“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.

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