SCHEMBL5887617

SCHEMBL5887617

CCOC(=O)C(Cc1ccc(I)cc1)NCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.50
EPHX2 P34913 1/20 0.50
MMP8 P22894 1/20 0.49
ATM Q13315 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
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
TP53 P04637 1/20 0.45
PSMB5 P28074 1/20 0.44
BACE1 P56817 1/20 0.44
EGFR P00533 1/20 0.43
TACR1 P25103 1/20 0.43
PPARA Q07869 1/20 0.43

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
SCHEMBL5887621 1.00 PPARG (0.50) PPARGEPHX2MMP8ATML3MBTL1
SCHEMBL1931193 0.92 MMP8 (0.56) PPARGEPHX2MMP8ATML3MBTL1
SCHEMBL13915549 0.92 MMP8 (0.56) PPARGEPHX2MMP8ATML3MBTL1
SCHEMBL28699378 0.89 BACE1 (0.54) PPARGEPHX2MMP8ATML3MBTL1
SCHEMBL5887328 0.89 ATM (0.59) ATML3MBTL1FPR2ITGA4ITGB7
SCHEMBL5887331 0.89 ATM (0.59) ATML3MBTL1FPR2ITGA4ITGB7
SCHEMBL5887767 0.88 ITGA4 (0.54) ATMFPR2ITGA4ITGB7TACR1
SCHEMBL5887764 0.88 ITGA4 (0.54) ATMFPR2ITGA4ITGB7TACR1
SCHEMBL2860038 0.87 EPHX2 (0.52) PPARGEPHX2MMP8ATML3MBTL1
SCHEMBL5887649 0.87 MMP8 (0.52) PPARGEPHX2MMP8ATML3MBTL1

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

“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.