SCHEMBL2857976

SCHEMBL2857976

CC(C)(C)OC(=O)[C@H](Cc1ccc(Cl)cc1)NCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 2/20 0.64
ITGB7 P26010 2/20 0.64
MAPT P10636 5/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
TDP1 Q9NUW8 3/20 0.48
POLB P06746 1/20 0.48
ATM Q13315 2/20 0.47
NOS2 P35228 1/20 0.46
KDM4E B2RXH2 2/20 0.46
MAPK1 P28482 1/20 0.46
CTSS P25774 2/20 0.46
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
CTSK P43235 1/20 0.46
GAA P10253 1/20 0.45
MMP1 P03956 1/20 0.45
MMP3 P08254 1/20 0.45
MMP9 P14780 1/20 0.45

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
SCHEMBL2857974 1.00 ITGA4 (0.64) ITGA4ITGB7MAPTMEN1KMT2A
SCHEMBL8336978 0.90 ITGA4 (0.67) ITGA4ITGB7MAPTMEN1KMT2A
SCHEMBL28293650 0.90 ITGA4 (0.67) ITGA4ITGB7MAPTMEN1KMT2A
SCHEMBL5887224 0.88 ITGA4 (0.64) ITGA4ITGB7MAPTMEN1KMT2A
SCHEMBL5887221 0.88 ITGA4 (0.64) ITGA4ITGB7MAPTMEN1KMT2A
SCHEMBL5887302 0.88 ITGA4 (0.64) ITGA4ITGB7MAPTMEN1KMT2A
SCHEMBL5887295 0.88 ITGA4 (0.64) ITGA4ITGB7MAPTMEN1KMT2A
SCHEMBL2863115 0.87 NOS2 (0.59) ITGA4ITGB7MEN1KMT2APOLB
SCHEMBL11347234 0.87 NOS2 (0.59) ITGA4ITGB7MEN1KMT2APOLB
SCHEMBL2863112 0.87 NOS2 (0.59) ITGA4ITGB7MEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1346971-B1 Production method for biarylalanine SUMITOMO CHEMICAL CO (JP) 2010-01-20 EP disclosed
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 4304/4885MAPT 4046/4885

“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.