SCHEMBL5367260

SCHEMBL5367260

CC[C@@](Cc1ccc(Nc2nc(OC)nc(OC)n2)cc1)(Nc1nc(OC)nc(OC)n1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.51
NPSR1 Q6W5P4 3/20 0.51
HTT P42858 1/20 0.51
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
PDE4B Q07343 1/20 0.42
PDE4D Q08499 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPK1 P28482 2/20 0.42
TP53 P04637 1/20 0.42
ALOX15 P16050 1/20 0.42
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.39
LMNA P02545 4/20 0.38
POLB P06746 1/20 0.38
ITGB1 P05556 2/20 0.37

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
SCHEMBL6107922 0.88 CA1 (0.39) MAPTNPSR1HTTALDH1A1SMN1; SMN2
SCHEMBL5370444 0.83 ALDH1A1 (0.44) MAPTNPSR1HTTALDH1A1SMN1; SMN2
SCHEMBL5359111 0.82 ITGB1 (0.61) ITGB1ITGA4
SCHEMBL5370436 0.78 ITGB1 (0.67) MAPTLMNAITGB1ITGA4
SCHEMBL4896966 0.74 MAPT (0.47) MAPTNPSR1HTTALDH1A1SMN1; SMN2
SCHEMBL6105561 0.70 ITGB1 (0.67) MAPTNPSR1HTTALDH1A1SMN1; SMN2
SCHEMBL26812628 0.68 SMN1; SMN2 (0.70) MAPTNPSR1HTTALDH1A1SMN1; SMN2
SCHEMBL5358246 0.66 ITGB1 (0.64) ITGB1ITGA4
SCHEMBL14354708 0.64 ALDH1A1 (0.59) MAPTNPSR1HTTALDH1A1SMN1; SMN2
SCHEMBL5339625 0.64 KMT2A (0.49) MAPTHTTALDH1A1SMN1; SMN2MEN1

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-7291645-B2 Phenylalanine derivatives as alpha 4 integrin inhibitors ELAN PHARMACEUTICALS, INC. (US) 2007-11-06 US disclosed
US-20040127486-A1 Phenylalanine derivatives as alpha 4 integrin inhibitors ELAN PHARMACEUTICALS, INC. 2004-07-01 US disclosed
US-6677339-B2 S-3-(4-(3,5-DICHLOROPYRID-4-YLCARBOXAMIDO)PHENYL)-2-(4,6-DIMET HOXY-1,3,5-TRIAZIN-2-YLAMINO)PROPANOIC ACID FOR EXAMPLE; INHIBIT BINDING OF ALPHA 4 INTEGRINS TO THEIR LIGANDS, FOR TREATING IMMUNE OR INFLAMMATORY DISORDERS CELLTECH R & D LIMITED (GB) 2004-01-13 US disclosed
US-20020028812-A1 Phenylalanine derivatives CELLTECH CHIROSCIENCE LIMITED (GB) 2002-03-07 US disclosed
US-6348463-B1 Phenylalanine derivatives CELLTECH THERAPEUTICS LIMITED (GB) 2002-02-19 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 (2 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-20020028812-A1 Phenylalanine derivatives PAH, FPR1, VCAM1 MAPT 2071/4885NPSR1 218/4885HTT 4469/4885
US-20040127486-A1 Phenylalanine derivatives as alpha 4 integrin inhibitors ITGB4, ITGA4, ITGB3 MAPT 2614/4885NPSR1 944/4885HTT 4632/4885

“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.