SCHEMBL5887295

SCHEMBL5887295

CC(C)(C)OC(=O)C(Cc1ccc(Br)cc1)NCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 2/20 0.64
ITGB7 P26010 2/20 0.64
CTSS P25774 3/20 0.51
CTSK P43235 2/20 0.51
MAPT P10636 3/20 0.49
TDP1 Q9NUW8 3/20 0.48
POLB P06746 1/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
MMP1 P03956 1/20 0.47
MMP3 P08254 1/20 0.47
MMP9 P14780 1/20 0.47
ATM Q13315 2/20 0.47
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
KDM4E B2RXH2 1/20 0.45
FPR2 P25090 2/20 0.44
ACE P12821 1/20 0.44

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
SCHEMBL5887302 1.00 ITGA4 (0.64) ITGA4ITGB7CTSSCTSKMAPT
SCHEMBL28293650 0.90 ITGA4 (0.67) ITGA4ITGB7CTSSCTSKMAPT
SCHEMBL8336978 0.90 ITGA4 (0.67) ITGA4ITGB7CTSSCTSKMAPT
SCHEMBL2857974 0.88 ITGA4 (0.64) ITGA4ITGB7CTSSCTSKMAPT
SCHEMBL5887224 0.88 ITGA4 (0.64) ITGA4ITGB7CTSSCTSKMAPT
SCHEMBL2857976 0.88 ITGA4 (0.64) ITGA4ITGB7CTSSCTSKMAPT
SCHEMBL5887221 0.88 ITGA4 (0.64) ITGA4ITGB7CTSSCTSKMAPT
SCHEMBL5887263 0.87 ATM (0.59) ITGA4ITGB7POLBMEN1KMT2A
SCHEMBL5887255 0.87 ATM (0.59) ITGA4ITGB7POLBMEN1KMT2A
SCHEMBL16355706 0.86 ITGA4 (0.63) ITGA4ITGB7CTSSCTSKMAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7091373-B2 Production method for biarylalanine SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-08-15 US disclosed
US-20040024229-A1 Production method for biarylalanine SUMITOMO CHEMICAL COMPANY, LIMITED 2004-02-05 US disclosed
EP-1346971-A1 Production method for biarylalanine SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-09-24 EP 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 (1 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-20040024229-A1 Production method for biarylalanine BCAT2, BCAT1, PAH ITGA4 4068/4885ITGB7 4304/4885CTSS 1702/4885

“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.