SCHEMBL5149725

SCHEMBL5149725

COC(=O)c1ccc(OC(F)(C(=O)Cc2ccc(NC(=O)Nc3ccccc3OC)cc2)N2CCCC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.52
NPC1 O15118 8/20 0.52
MAPT P10636 8/20 0.52
TP53 P04637 1/20 0.49
ALOX15 P16050 1/20 0.49
SMN1; SMN2 Q16637 5/20 0.48
NPSR1 Q6W5P4 2/20 0.46
POLB P06746 1/20 0.46
HPGD P15428 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
P2RY1 P47900 5/20 0.46
THRB P10828 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
LMNA P02545 1/20 0.45
KDM4E B2RXH2 3/20 0.45
NFKB1 P19838 1/20 0.45
HTT P42858 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45

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
SCHEMBL5152494 0.93 RAB9A (0.52) RAB9ANPC1MAPTTP53ALOX15
SCHEMBL5153516 0.92 ITGA4 (0.48) RAB9ANPC1MAPTTP53ALOX15
SCHEMBL5151831 0.91 P2RY1 (0.47) RAB9ANPC1MAPTSMN1; SMN2P2RY1
SCHEMBL5149635 0.91 MAPT (0.56) RAB9ANPC1MAPTSMN1; SMN2P2RY1
SCHEMBL5155307 0.90 NPC1 (0.47) RAB9ANPC1MAPTSMN1; SMN2POLB
SCHEMBL5150238 0.90 P2RY1 (0.46) RAB9ANPC1MAPTSMN1; SMN2P2RY1
SCHEMBL5152799 0.90 ITGA4 (0.43) RAB9ANPC1MAPTSMN1; SMN2NPSR1
SCHEMBL5152120 0.86 ITGA4 (0.54) MAPTTP53L3MBTL1MEN1KMT2A
SCHEMBL5151939 0.86 ITGA4 (0.50) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL5156530 0.85 ITGA4 (0.51) RAB9ANPC1MAPTPOLBL3MBTL1

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 RAB9A 2282/4885NPC1 2939/4885MAPT 3229/4885
US-20070054909-A1 VLA-4 inhibitor compounds VCAM1, ITGB4, ICAM1 RAB9A 1984/4885NPC1 3300/4885MAPT 3296/4885
US-20040229858-A1 VLA-4 inhibitor compounds VCAM1, ICAM1, ITGB4 RAB9A 2225/4885NPC1 2981/4885MAPT 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.