SCHEMBL5156530

SCHEMBL5156530

COC(=O)c1ccc(OC(F)(C(=O)Cc2ccc(NC(=O)Nc3ccccc3Br)c(OC)c2)N2CCCC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 13/20 0.51
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ITGB1 P05556 3/20 0.39
GAA P10253 1/20 0.39
GFER P55789 1/20 0.39
POLB P06746 1/20 0.38
LPAR1 Q92633 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 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
SCHEMBL6210969 0.94 ITGA4 (0.58) ITGA4ITGB1
SCHEMBL5153516 0.94 ITGA4 (0.48) ITGA4MEN1KMT2AMAPTLMNA
SCHEMBL5152120 0.91 ITGA4 (0.54) ITGA4MEN1KMT2AMAPTLMNA
SCHEMBL5151939 0.91 ITGA4 (0.50) ITGA4MEN1KMT2AMAPTITGB1
SCHEMBL5153490 0.91 ITGA4 (0.51) ITGA4MEN1KMT2AMAPTLMNA
SCHEMBL5153307 0.91 ITGA4 (0.45) ITGA4MEN1KMT2AMAPTLMNA
SCHEMBL5152052 0.91 ITGA4 (0.51) ITGA4MEN1KMT2AMAPTLMNA
SCHEMBL5152121 0.89 ITGA4 (0.49) ITGA4MEN1KMT2AMAPTLMNA
SCHEMBL5150238 0.89 P2RY1 (0.46) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL5152799 0.88 ITGA4 (0.43) ITGA4MEN1KMT2AMAPTLMNA

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 ITGA4 3/4885MEN1 2953/4885KMT2A 1046/4885
US-20070054909-A1 VLA-4 inhibitor compounds VCAM1, ITGB4, ICAM1 ITGA4 4/4885MEN1 3283/4885KMT2A 735/4885
US-20040229858-A1 VLA-4 inhibitor compounds VCAM1, ICAM1, ITGB4 ITGA4 5/4885MEN1 3022/4885KMT2A 918/4885

“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.