SCHEMBL5887649

SCHEMBL5887649

CCOC(=O)[C@H](Cc1ccc(Br)cc1)NCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.52
EPHX2 P34913 1/20 0.50
PPARG P37231 1/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
NPSR1 Q6W5P4 1/20 0.49
ATM Q13315 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
CTSL P07711 1/20 0.46
CTSS P25774 1/20 0.46
FPR2 P25090 3/20 0.46
ELANE P08246 1/20 0.46
HPRT1 P00492 1/20 0.46
ITGA4 P13612 1/20 0.46
ITGB7 P26010 1/20 0.46
CTSK P43235 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 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
SCHEMBL5887647 1.00 MMP8 (0.52) MMP8EPHX2PPARGMEN1KMT2A
SCHEMBL1931193 0.92 MMP8 (0.56) MMP8EPHX2PPARGATML3MBTL1
SCHEMBL13915549 0.92 MMP8 (0.56) MMP8EPHX2PPARGATML3MBTL1
SCHEMBL5887255 0.89 ATM (0.59) MEN1KMT2AATML3MBTL1ITGA4
SCHEMBL28699378 0.89 BACE1 (0.54) MMP8EPHX2PPARGATML3MBTL1
SCHEMBL5887263 0.89 ATM (0.59) MEN1KMT2AATML3MBTL1ITGA4
SCHEMBL5887605 0.88 ITGA4 (0.54) MEN1KMT2AL3MBTL1SMN1; SMN2CTSL
SCHEMBL5887603 0.88 ITGA4 (0.54) MEN1KMT2AL3MBTL1SMN1; SMN2CTSL
SCHEMBL5887617 0.87 PPARG (0.50) MMP8EPHX2PPARGATML3MBTL1
SCHEMBL2860038 0.87 EPHX2 (0.52) MMP8EPHX2PPARGMEN1KMT2A

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 MMP8 4816/4885EPHX2 2275/4885PPARG 4594/4885

“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.