SCHEMBL5152156

SCHEMBL5152156

COc1cc(CC(=O)O)ccc1NC(=O)Nc1ccccc1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.56
MEN1 O00255 6/20 0.56
MAPT P10636 1/20 0.56
HTT P42858 1/20 0.56
KDM4E B2RXH2 2/20 0.56
RAB9A P51151 6/20 0.54
NPC1 O15118 4/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
ITGB1 P05556 1/20 0.52
ITGA4 P13612 1/20 0.52
ALDH1A1 P00352 4/20 0.51
NFKB1 P19838 2/20 0.51
PKM P14618 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
GAA P10253 1/20 0.50
TSHR P16473 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
PYGL P06737 1/20 0.50
CASP3 P42574 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
SCHEMBL5151619 0.90 MAPT (0.57) KMT2AMEN1MAPTHTTKDM4E
SCHEMBL5156758 0.87 RAB9A (0.50) KMT2AMEN1MAPTHTTKDM4E
SCHEMBL4683165 0.86 ITGA4 (0.67) KMT2AMEN1MAPTSMN1; SMN2ITGB1
SCHEMBL5156820 0.86 ITGB1 (0.58) KMT2AMEN1MAPTHTTKDM4E
SCHEMBL5152186 0.85 ALDH1A1 (0.56) KMT2AMEN1MAPTRAB9ANPC1
SCHEMBL5155303 0.85 ITGA4 (0.55) KMT2AMEN1HTTRAB9ANPC1
SCHEMBL5150328 0.85 ITGB1 (0.52) KMT2AMEN1MAPTRAB9ANPC1
SCHEMBL5151623 0.85 KMT2A (0.51) KMT2AMEN1MAPTHTTKDM4E
SCHEMBL5150333 0.85 ITGA4 (0.57) KMT2AMEN1KDM4ERAB9ANPC1
SCHEMBL5151666 0.84 RAB9A (0.61) KMT2AMEN1MAPTHTTRAB9A

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 8 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
EP-1189612-A4 VLA-4 INHIBITOR COMPOUNDS DAIICHI SEIYAKU CO (JP) 2005-02-16 EP 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
EP-1189612-A1 VLA-4 INHIBITOR COMPOUNDS Daiichi Pharmaceutical Co., Ltd. (JP) 2002-03-27 EP disclosed
WO-2001000206-A1 VLA-4 INHIBITOR COMPOUNDS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2001-01-04 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 (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 KMT2A 1046/4885MEN1 2953/4885MAPT 3229/4885
US-20070054909-A1 VLA-4 inhibitor compounds VCAM1, ITGB4, ICAM1 KMT2A 735/4885MEN1 3283/4885MAPT 3296/4885
US-20040229858-A1 VLA-4 inhibitor compounds VCAM1, ICAM1, ITGB4 KMT2A 918/4885MEN1 3022/4885MAPT 3414/4885

“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.