SCHEMBL9103059

SCHEMBL9103059

CCCCOC(=O)N[C@@H](CC(=O)OC)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.41
ACHE P22303 7/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
ITGB3 P05106 2/20 0.39
ITGA2B P08514 2/20 0.39
ALDH1A1 P00352 1/20 0.39
NOD1 Q9Y239 1/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
CASP1 P29466 1/20 0.38
HPGD P15428 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL7404539 0.87 ACHE (0.46) EPHX1ACHEALDH1A1
SCHEMBL1161276 0.85 CTSK (0.45) EPHX1CYP1A2CYP2C19ITGB3ITGA2B
SCHEMBL4364211 0.85 CTSK (0.45) EPHX1CYP1A2CYP2C19ITGB3ITGA2B
SCHEMBL17175560 0.85 ITGB3 (0.47) EPHX1ITGB3ITGA2BNOD1
SCHEMBL9565515 0.84 ECE1 (0.43) EPHX1ACHESMN1; SMN2ITGB3ITGA2B
SCHEMBL8591688 0.84 ECE1 (0.43) EPHX1ACHESMN1; SMN2ITGB3ITGA2B
SCHEMBL8872226 0.84 ECE1 (0.43) EPHX1ACHESMN1; SMN2ITGB3ITGA2B
SCHEMBL4592659 0.84 EPHX1 (0.43) EPHX1ACHESMN1; SMN2ITGB3ITGA2B
SCHEMBL12640944 0.84 EPHX1 (0.43) EPHX1ACHESMN1; SMN2ITGB3ITGA2B
SCHEMBL480292 0.83 EPHX1 (0.46) EPHX1ACHESMN1; SMN2ITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170360956-A1 FUNCTIONALIZED LINEAR LIGANDS AND COMPLEXES THEREOF LUMIPHORE, INC. 2017-12-21 US disclosed
WO-2016106241-A1 FUNCTIONALIZED LINEAR LIGANDS AND COMPLEXES THEREOF LUMIPHORE, INC. (US) 2016-06-30 WO disclosed
EP-2459557-A1 CYCLIC (AZA)INDOLIZINECARBOXAMIDES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2012-06-06 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 (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-20170360956-A1 FUNCTIONALIZED LINEAR LIGANDS AND COMPLEXES THEREOF CLTB, CLTA, EPCAM EPHX1 3957/4885ACHE 3437/4885SMN1; SMN2 2230/4885

“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.