SCHEMBL2855211

SCHEMBL2855211

CC(C)OC(=O)C(Cc1ccc(OS(=O)(=O)C(F)(F)F)cc1)NC(=O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.51
ITGA2B P08514 6/20 0.51
P2RX7 Q99572 9/20 0.51
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.50
HPGD P15428 1/20 0.50
HTT P42858 1/20 0.50
KMT2A Q03164 1/20 0.50
CTSL P07711 1/20 0.49
CTSB P07858 1/20 0.49
CTSS P25774 1/20 0.49
CTSK P43235 1/20 0.49
ALOX15 P16050 1/20 0.48

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
SCHEMBL2855213 1.00 ITGB3 (0.51) ITGB3ITGA2BP2RX7ALDH1A1KDM4E
SCHEMBL2861260 0.91 ALDH1A1 (0.56) ITGB3ITGA2BP2RX7ALDH1A1KDM4E
SCHEMBL2419128 0.91 ALDH1A1 (0.56) ITGB3ITGA2BP2RX7ALDH1A1KDM4E
SCHEMBL30229545 0.91 ALDH1A1 (0.54) ITGB3ITGA2BP2RX7ALDH1A1KDM4E
SCHEMBL1828085 0.90 CTSL (0.51) ITGB3ITGA2BP2RX7ALDH1A1CTSL
SCHEMBL1828087 0.90 CTSL (0.51) ITGB3ITGA2BP2RX7ALDH1A1CTSL
SCHEMBL2866584 0.89 P2RX7 (0.53) ITGB3ITGA2BP2RX7ALDH1A1KDM4E
SCHEMBL2866586 0.89 P2RX7 (0.53) ITGB3ITGA2BP2RX7ALDH1A1KDM4E
SCHEMBL15020052 0.88 ITGB3 (0.61) ITGB3ITGA2BP2RX7ALDH1A1KDM4E
SCHEMBL7318182 0.88 ITGB3 (0.61) ITGB3ITGA2BP2RX7ALDH1A1KDM4E

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 ITGB3 4101/4885ITGA2B 4475/4885P2RX7 4516/4885

“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.