SCHEMBL5157045

SCHEMBL5157045

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 4/20 0.43
NR3C1 P04150 1/20 0.42
LMNA P02545 1/20 0.40
STS P08842 1/20 0.40
MLYCD O95822 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CA12 O43570 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
RAB9A P51151 3/20 0.40
NPC1 O15118 1/20 0.40
PARP10 Q53GL7 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL5154924 0.80 MEN1 (0.47) KMT2AMEN1CA1CA2SMN1; SMN2
SCHEMBL5152117 0.79 KMT2A (0.55) KMT2AMEN1CA1CA2SMN1; SMN2
SCHEMBL21932297 0.77 CNR1 (0.51) KMT2ACA1CA2MAPTLMNA
SCHEMBL4511424 0.77 CNR1 (0.51) KMT2ACA1CA2MAPTLMNA
SCHEMBL21932490 0.77 CNR1 (0.51) KMT2ACA1CA2MAPTLMNA
SCHEMBL1854840 0.73 KMT2A (0.66) KMT2AMEN1CA1CA2SMN1; SMN2
SCHEMBL6548631 0.73 CA1 (0.64) KMT2AMEN1CA1CA2SMN1; SMN2
SCHEMBL9172088 0.73 KMT2A (0.55) KMT2AMEN1CA1CA2SMN1; SMN2
SCHEMBL1853362 0.72 ALOX15 (0.62) KMT2AMEN1CA1CA2SMN1; SMN2
SCHEMBL6285461 0.72 CA1 (0.62) KMT2AMEN1CA1CA2SMN1; SMN2

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 KMT2A 1046/4885MEN1 2953/4885CA1 989/4885
US-20070054909-A1 VLA-4 inhibitor compounds VCAM1, ITGB4, ICAM1 KMT2A 735/4885MEN1 3283/4885CA1 1227/4885
US-20040229858-A1 VLA-4 inhibitor compounds VCAM1, ICAM1, ITGB4 KMT2A 918/4885MEN1 3022/4885CA1 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.