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Sugi Predict / Compounds / SCHEMBL14970780

SCHEMBL14970780

SCHEMBL14970780

O=C(O)CN1CCCN(CC(=O)O)CCN(CC(=O)O)CC(CCO)CN(CC(=O)O)CC1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.39
▸ SIGMAR1 Q99720 4/20 0.34
▸ SLC6A9 P48067 1/20 0.33
▸ GAA P10253 1/20 0.32
▸ BRD4 O60885 1/20 0.32
▸ ITGB3 P05106 1/20 0.31
▸ ITGA2B P08514 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ SMN1; SMN2 Q16637 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
SCHEMBL22273181 0.85 HSD17B10 (0.38) HSD17B10SIGMAR1SLC6A9GAA
SCHEMBL19798127 0.82 HSD17B10 (0.41) HSD17B10SIGMAR1SLC6A9GAAITGB3
SCHEMBL18843668 0.81 HSD17B10 (0.40) HSD17B10SIGMAR1SLC6A9GAAITGB3
SCHEMBL8670277 0.80 SIGMAR1 (0.36) HSD17B10SIGMAR1ALDH1A1MEN1KMT2A
SCHEMBL17512849 0.79 HSD17B10 (0.56) HSD17B10SIGMAR1SLC6A9GAAITGB3
SCHEMBL893723 0.79 HSD17B10 (0.56) HSD17B10SIGMAR1SLC6A9GAAITGB3
SCHEMBL21454626 0.79 HSD17B10 (0.56) HSD17B10SIGMAR1SLC6A9GAAITGB3
SCHEMBL321552 0.79 HSD17B10 (0.56) HSD17B10SIGMAR1SLC6A9GAAITGB3
SCHEMBL3504659 0.79 HSD17B10 (0.56) HSD17B10SIGMAR1SLC6A9GAAITGB3
SCHEMBL454245 0.79 HSD17B10 (0.56) HSD17B10SIGMAR1SLC6A9GAAITGB3

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-9315511-B2 Methods for preparing functional tetraazacycloalkane compounds using a specific cyclic bisaminal compound UNIVERSITE DE BRETAGNE OCCIDENTALE (FR) 2016-04-19 — — US disclosed
US-9315511-B2 Methods for preparing functional tetraazacycloalkane compounds using a specific cyclic bisaminal compound UNIVERSITE DE BRETAGNE OCCIDENTALE (FR) 2016-04-19 — — US disclosed
US-20140323717-A1 Methods for Preparing Functional Tetraazacycloalkane Compounds using a Specific Cyclic Bisaminal Compound CNRS-CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2014-10-30 — — US disclosed
US-20140323717-A1 Methods for Preparing Functional Tetraazacycloalkane Compounds using a Specific Cyclic Bisaminal Compound CNRS-CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2014-10-30 — — US disclosed
WO-2013072491-A1 METHODS FOR PREPARING FUNCTIONAL TETRAAZACYCLOALKANE COMPOUNDS USING A SPECIFIC CYCLIC BISAMINAL COMPOUND UNIVERSITE DE BRETAGNE OCCIDENTALE (FR) 2013-05-23 — — 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-20140323717-A1 Methods for Preparing Functional Tetraazacycloalkane Compounds using a Specific Cyclic Bisaminal Compound NISCH, FHIT, FLNB HSD17B10 3713/4885SIGMAR1 3196/4885SLC6A9 855/4885

“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.