SCHEMBL5152960

SCHEMBL5152960

COC(=O)c1ccc(OC(F)(C(=O)OC(C)(C)C)N2CCCC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.41
KDM4E B2RXH2 2/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
GLA P06280 1/20 0.40
RAB9A P51151 5/20 0.40
NPC1 O15118 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.39
EPHX2 P34913 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
GAA P10253 1/20 0.39
ALDH1A1 P00352 1/20 0.38
FAAH O00519 1/20 0.38
ERAP2 Q6P179 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
SCHEMBL5155312 0.85 CA1 (0.43) KDM4ECA1CA2GLARAB9A
SCHEMBL2429237 0.84 CA1 (0.42) KDM4ECA1CA2GLARAB9A
SCHEMBL2432683 0.83 KDM4E (0.41) KDM4ECA1CA2GLARAB9A
SCHEMBL5152045 0.83 KDM4E (0.41) KDM4ECA1CA2GLARAB9A
SCHEMBL2429244 0.83 LMNA (0.43) GPR119KDM4EGLARAB9ANPC1
SCHEMBL2429849 0.82 KDM4E (0.40) KDM4ECA1CA2GLARAB9A
SCHEMBL5152805 0.81 KDM4E (0.40) KDM4ECA1CA2GLARAB9A
SCHEMBL5149712 0.78 ALDH1A1 (0.38) KDM4ECA1CA2GLARAB9A
SCHEMBL5149795 0.78 KDM4E (0.39) KDM4ERAB9ANPC1SMN1; SMN2EPHX2
SCHEMBL2436077 0.77 CA1 (0.47) KDM4ECA1CA2GLARAB9A

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 GPR119 193/4885KDM4E 695/4885CA1 989/4885
US-20070054909-A1 VLA-4 inhibitor compounds VCAM1, ITGB4, ICAM1 GPR119 233/4885KDM4E 409/4885CA1 1227/4885
US-20040229858-A1 VLA-4 inhibitor compounds VCAM1, ICAM1, ITGB4 GPR119 192/4885KDM4E 669/4885CA1 1030/4885

“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.