SCHEMBL12955141

SCHEMBL12955141

O=S(=O)(O)c1cc(Nc2nc(Cl)nc(NCc3cccc(Nc4nc(Cl)nc(Nc5cc(S(=O)(=O)O)cc6cc(S(=O)(=O)O)c(/N=N/c7ccc8c(S(=O)(=O)O)cccc8c7S(=O)(=O)O)c(O)c56)n4)c3)n2)c2c(O)c(/N=N/c3ccc4c(S(=O)(=O)O)cccc4c3S(=O)(=O)O)c(S(=O)(=O)O)cc2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FUT8 Q9BYC5 1/20 0.64
▸ CYP1A2 P05177 3/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ DNASE1L3 Q13609 1/20 0.42
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ THRB P10828 2/20 0.40
▸ ENPP2 Q13822 5/20 0.39
▸ PRMT1 Q99873 2/20 0.39
▸ PHLPP2 Q6ZVD8 2/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ HTT P42858 1/20 0.36
▸ CARM1 Q86X55 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ CD40 P25942 1/20 0.34
▸ CD40LG P29965 1/20 0.34
▸ ENPP3 O14638 1/20 0.34
▸ ENPP1 P22413 1/20 0.34

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
SCHEMBL13474938 0.96 FUT8 (0.59) FUT8CYP1A2CYP2C9MAPK1DNASE1L3
SCHEMBL13455170 0.91 FUT8 (0.77) FUT8CYP1A2CYP2C9MAPK1DNASE1L3
SCHEMBL8974959 0.89 FUT8 (0.69) FUT8CYP1A2CYP2C9MAPK1DNASE1L3
SCHEMBL20685452 0.88 FUT8 (0.67) FUT8CYP1A2CYP2C9MAPK1DNASE1L3
SCHEMBL25592672 0.88 FUT8 (0.65) FUT8CYP1A2CYP2C9MAPK1DNASE1L3
SCHEMBL14594987 0.87 FUT8 (0.49) FUT8CYP1A2CYP2C9MAPK1DNASE1L3
SCHEMBL13880675 0.86 FUT8 (0.60) FUT8CYP1A2CYP2C9MAPK1DNASE1L3
SCHEMBL17484228 0.86 FUT8 (0.70) FUT8CYP1A2CYP2C9MAPK1DNASE1L3
SCHEMBL20685366 0.86 FUT8 (0.65) FUT8CYP1A2CYP2C9MAPK1DNASE1L3
SCHEMBL20685379 0.86 FUT8 (0.65) FUT8CYP1A2CYP2C9MAPK1DNASE1L3

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
EP-2142011-B1 METHOD FOR MODULATING THE TASTE OF MATERIAL COMPISITIONS CONTAINING AT LEAST ONE HIGH INTENSITY SWEETENER (HIS) BRAIN BIOTECHNOLOGY RES & INFORMATION NETWORK AG (DE) 2011-01-12 — — EP disclosed
EP-2139347-B1 USE OF WATER-DISPERSIBLE CAROTINOID NANOPARTICLES AS TASTE MODULATORS, TASTE MODULATORS CONTAINING WATER-DISPERSIBLE CAROTINOID NANOPARTICLES, AND METHOD FOR TASTE MODULATION BRAIN BIOTECHNOLOGY RES & INFORMATION NETWORK AG (DE) 2011-01-12 — — EP disclosed
US-20100028444-A1 USE OF WATER-DISPERSIBLE CAROTENOID NANOPARTICLES AS TASTE MODULATORS, TASTE MODULATORS CONTAINING WATER-DISPERSIBLE CAROTENOID NANOPARTICLES, AND, METHOD FOR TASTE MODULATION BASF SE (DE) 2010-02-04 — — US disclosed
WO-2008102019-A2 USE OF WATER-DISPERSIBLE CAROTINOID NANOPARTICLES AS TASTE MODULATORS, TASTE MODULATORS CONTAINING WATER-DISPERSIBLE CAROTINOID NANOPARTICLES, AND METHOD FOR TASTE MODULATION BASF SE (DE) 2008-08-28 — — WO disclosed
WO-2008102018-A2 METHOD FOR MODULATING THE TASTE OF MATERIAL COMPISITIONS CONTAINING AT LEAST ONE HIGH INTENSITY SWEETENER (HIS) BASF SE (DE) 2008-08-28 — — 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-20100028444-A1 USE OF WATER-DISPERSIBLE CAROTENOID NANOPARTICLES AS TASTE MODULATORS, TASTE MODULATORS CONTAINING WATER-DISPERSIBLE CAROTENOID NANOPARTICLES, AND, METHOD FOR TASTE MODULATION TAS2R13, TAS2R10, TAS2R16 FUT8 2375/4885CYP1A2 2613/4885CYP2C9 1769/4885

“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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