SCHEMBL5152504

SCHEMBL5152504

COC(=O)c1ccc(OC(C)NCC(=O)Cc2ccc(NC(=O)Nc3ccccc3F)c(OC)c2)c(NC(C)C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PYGL P06737 2/20 0.45
▸ KDM4E B2RXH2 3/20 0.42
▸ RAB9A P51151 5/20 0.42
▸ NPC1 O15118 3/20 0.42
▸ MAPT P10636 3/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ HTT P42858 2/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ NFKB2 Q00653 1/20 0.42
▸ RELA Q04206 1/20 0.42
▸ KMT2A Q03164 5/20 0.41
▸ MEN1 O00255 4/20 0.41
▸ ALDH1A1 P00352 1/20 0.39
▸ ITGA4 P13612 3/20 0.38
▸ ITGB1 P05556 1/20 0.38
▸ CASP3 P42574 1/20 0.38
▸ SENP7 Q9BQF6 1/20 0.38
▸ PDE4D Q08499 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ HPGD P15428 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
SCHEMBL5155630 0.94 PYGL (0.45) PYGLKDM4ERAB9ANPC1MAPT
SCHEMBL5152225 0.91 ITGA4 (0.47) PYGLRAB9ANPC1MAPTSMN1; SMN2
SCHEMBL5152073 0.90 PYGL (0.45) PYGLKDM4ERAB9ANPC1MAPT
SCHEMBL5150105 0.88 PYGL (0.44) PYGLKDM4ERAB9ANPC1MAPT
SCHEMBL5155691 0.87 KMT2A (0.46) PYGLKDM4ERAB9ANPC1MAPT
SCHEMBL5155115 0.87 GAA (0.44) PYGLKDM4ERAB9ANPC1MAPT
SCHEMBL5152499 0.86 PYGL (0.43) PYGLKDM4ERAB9ANPC1MAPT
SCHEMBL5151834 0.85 ITGA4 (0.49) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL5150028 0.83 PYGL (0.45) PYGLKDM4ERAB9ANPC1MAPT
SCHEMBL5157084 0.82 ALDH1A1 (0.46) PYGLKDM4ERAB9ANPC1MAPT

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-20070054909-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 — — US disclosed
US-7179819-B2 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-02-20 — — US disclosed
US-20040229858-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-11-18 — — US disclosed
US-6756378-B2 BENZYL -UREA, -THIOUREA, OR -GUANIDINE DERIVATIVES THAT INHIBIT THE BINDING OF LIGANDS TO ALPHA 4 BETA 1 INTEGRIN (VLA-4) PHARMACOPEIA DRUG DISCOVERY, INC. 2004-06-29 — — US disclosed
US-20030078249-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-04-24 — — 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 (3 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-20030078249-A1 VLA-4 inhibitor compounds VCAM1, ICAM1, ITGA4 PYGL 1293/4885KDM4E 695/4885RAB9A 2282/4885
US-20070054909-A1 VLA-4 inhibitor compounds VCAM1, ITGB4, ICAM1 PYGL 1273/4885KDM4E 409/4885RAB9A 1984/4885
US-20040229858-A1 VLA-4 inhibitor compounds VCAM1, ICAM1, ITGB4 PYGL 1448/4885KDM4E 669/4885RAB9A 2225/4885

“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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