SCHEMBL5149635

SCHEMBL5149635

COC(=O)c1ccc(OC(F)(C(=O)Cc2ccc(NC(=O)Nc3ccccc3C)cc2)N2CCCC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.56
RAB9A P51151 3/20 0.56
NPC1 O15118 2/20 0.56
P2RY1 P47900 8/20 0.47
HTT P42858 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
KDM4E B2RXH2 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
ITGB1 P05556 6/20 0.42
ITGA4 P13612 6/20 0.42
EPHX2 P34913 1/20 0.41

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
SCHEMBL5153406 0.92 MAPT (0.47) MAPTRAB9ANPC1P2RY1HTT
SCHEMBL5151831 0.92 P2RY1 (0.47) MAPTRAB9ANPC1P2RY1HTT
SCHEMBL5155307 0.91 NPC1 (0.47) MAPTRAB9ANPC1P2RY1HTT
SCHEMBL5150238 0.91 P2RY1 (0.46) MAPTRAB9ANPC1P2RY1HTT
SCHEMBL5149725 0.91 RAB9A (0.52) MAPTRAB9ANPC1P2RY1HTT
SCHEMBL5153046 0.90 MAPT (0.45) MAPTRAB9ANPC1P2RY1HTT
SCHEMBL5152328 0.90 MAPT (0.58) MAPTRAB9ANPC1P2RY1HTT
SCHEMBL5151939 0.89 ITGA4 (0.50) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL5150125 0.86 ITGA4 (0.44) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL5151820 0.86 RAB9A (0.48) MAPTRAB9ANPC1P2RY1HTT

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 6 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
EP-1189612-A4 VLA-4 INHIBITOR COMPOUNDS DAIICHI SEIYAKU CO (JP) 2005-02-16 EP 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 (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-20030078249-A1 VLA-4 inhibitor compounds VCAM1, ICAM1, ITGA4 MAPT 3229/4885RAB9A 2282/4885NPC1 2939/4885
US-20070054909-A1 VLA-4 inhibitor compounds VCAM1, ITGB4, ICAM1 MAPT 3296/4885RAB9A 1984/4885NPC1 3300/4885

“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.