SCHEMBL4855331

SCHEMBL4855331

NC(CCCCNc1nc(Cl)nc(Nc2cc(S(=O)(=O)O)cc3cc(S(=O)(=O)O)c(N=Nc4ccccc4)c(O)c23)n1)C(=O)O.[Na].[Na]

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FUT8 Q9BYC5 1/20 0.59
ENPP2 Q13822 7/20 0.47
CYP1A2 P05177 2/20 0.39
PHLPP2 Q6ZVD8 2/20 0.38
PRMT1 Q99873 3/20 0.37
CYP2C9 P11712 1/20 0.37
MAPK1 P28482 1/20 0.37
DNASE1L3 Q13609 1/20 0.37
PRMT3 O60678 1/20 0.36
EP300 Q09472 1/20 0.36
PRMT6 Q96LA8 1/20 0.36
CA2 P00918 2/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
MEN1 O00255 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
CA3 P07451 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
SCHEMBL4855317 0.99 FUT8 (0.58) FUT8ENPP2CYP1A2PHLPP2PRMT1
SCHEMBL4849257 0.94 FUT8 (0.51) FUT8ENPP2CYP1A2PHLPP2PRMT1
SCHEMBL14255277 0.94 FUT8 (0.51) FUT8ENPP2CYP1A2PHLPP2PRMT1
SCHEMBL4849237 0.94 FUT8 (0.50) FUT8ENPP2CYP1A2PHLPP2PRMT1
SCHEMBL4855320 0.91 FUT8 (0.48) FUT8ENPP2PRMT1CYP2C9MAPK1
SCHEMBL4849250 0.85 ENPP2 (0.41) FUT8ENPP2CYP1A2PHLPP2PRMT1
SCHEMBL3697372 0.84 FUT8 (0.73) FUT8ENPP2CYP1A2PHLPP2PRMT1
SCHEMBL6808077 0.84 FUT8 (0.73) FUT8ENPP2CYP1A2PHLPP2PRMT1
SCHEMBL3697366 0.84 FUT8 (0.73) FUT8ENPP2CYP1A2PHLPP2PRMT1
SCHEMBL10782738 0.82 FUT8 (0.70) FUT8ENPP2CYP1A2PHLPP2PRMT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7341604-B2 Highly affine cosmetic agent WELLA AG (DE) 2008-03-11 US disclosed
US-20060174423-A1 Highly affine cosmetic agent Wella GmbH (DE) 2006-08-10 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-20060174423-A1 Highly affine cosmetic agent TYR, ENO1, CUTA FUT8 220/4885ENPP2 260/4885CYP1A2 4813/4885

“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.