SCHEMBL12801660

SCHEMBL12801660

O=C(O)CN1CCN(CC(=O)O)CCN(C(CCCNC(=O)Cc2ccccc2Nc2c(Cl)cccc2Cl)C(=O)O)CCN(CC(=O)O)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 1/20 0.49
▸ BCHE P06276 1/20 0.49
▸ ACHE P22303 1/20 0.49
▸ PTGS2 P35354 4/20 0.49
▸ TTR P02766 3/20 0.49
▸ PTGS1 P23219 2/20 0.49
▸ ALB P02768 2/20 0.49
▸ AKR1B10 O60218 1/20 0.49
▸ UGT1A9 O60656 1/20 0.49
▸ TRPA1 O75762 1/20 0.49
▸ ABCB11 O95342 1/20 0.49
▸ MT-CO2 P00403 1/20 0.49
▸ CXCL8 P10145 1/20 0.49
▸ UGT1A6 P19224 1/20 0.49
▸ UGT1A1 P22309 1/20 0.49
▸ CXCR1 P25024 1/20 0.49
▸ ADRA1A P35348 1/20 0.49
▸ AGTR2 P50052 1/20 0.49
▸ NR1I3 Q14994 1/20 0.49
▸ SLC22A6 Q4U2R8 1/20 0.49

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
SCHEMBL18752947 0.94 APP (0.47) APPBCHEACHEPTGS2TTR
SCHEMBL16386398 0.94 APP (0.47) APPBCHEACHEPTGS2TTR
SCHEMBL11200912 0.77 CA12 (0.59) APPBCHEACHEPTGS2TTR
SCHEMBL12801807 0.77 MT-CO2 (0.48) PTGS2TTRPTGS1MT-CO2ADRA1A
SCHEMBL10797057 0.72 CA12 (0.65) APPBCHEACHEPTGS2TTR
SCHEMBL16386151 0.72 MT-CO2 (0.43) PTGS2TTRPTGS1MT-CO2ADRA1A
SCHEMBL11195479 0.72 PTGS2 (0.74) APPBCHEACHEPTGS2TTR
SCHEMBL13299169 0.72 PTGS2 (0.66) APPBCHEACHEPTGS2TTR
SCHEMBL11219307 0.72 PTGS2 (0.51) APPBCHEACHEPTGS2TTR
Hydrochloric Acid SCHEMBL10797659 0.71 CA12 (0.64) APPBCHEACHEPTGS2TTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110092806-A1 Compounds Comprising a Biological Target Recognizing Part, Coupled to a Signal Part Capable of Complexing Gallium GUEREBET (FR) 2011-04-21 — — US 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-20110092806-A1 Compounds Comprising a Biological Target Recognizing Part, Coupled to a Signal Part Capable of Complexing Gallium KLK3, IGF1R, GIPR APP 1458/4885BCHE 2951/4885ACHE 3653/4885

“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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