SCHEMBL2861260

SCHEMBL2861260

COC(=O)[C@H](Cc1ccc(OS(=O)(=O)C(F)(F)F)cc1)NC(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
ALOX15 P16050 1/20 0.56
ITGB3 P05106 6/20 0.53
ITGA2B P08514 6/20 0.53
P2RX7 Q99572 4/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
KDM4E B2RXH2 1/20 0.52
LMNA P02545 1/20 0.52
HPGD P15428 1/20 0.52
HTT P42858 1/20 0.52
CTSL P07711 1/20 0.52
CTSB P07858 1/20 0.52
CTSS P25774 1/20 0.52
CTSK P43235 1/20 0.52
CYP3A4 P08684 3/20 0.52
TSHR P16473 3/20 0.52
MAPT P10636 1/20 0.52

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
SCHEMBL2419128 1.00 ALDH1A1 (0.56) ALDH1A1ALOX15ITGB3ITGA2BP2RX7
SCHEMBL30229545 0.93 ALDH1A1 (0.54) ALDH1A1ALOX15ITGB3ITGA2BP2RX7
SCHEMBL2866584 0.92 P2RX7 (0.53) ALDH1A1ALOX15ITGB3ITGA2BP2RX7
SCHEMBL2866586 0.92 P2RX7 (0.53) ALDH1A1ALOX15ITGB3ITGA2BP2RX7
SCHEMBL15020052 0.91 ITGB3 (0.61) ALDH1A1ITGB3ITGA2BP2RX7MEN1
SCHEMBL7318182 0.91 ITGB3 (0.61) ALDH1A1ITGB3ITGA2BP2RX7MEN1
SCHEMBL2855211 0.91 ITGB3 (0.51) ALDH1A1ALOX15ITGB3ITGA2BP2RX7
SCHEMBL2861161 0.91 P2RX7 (0.59) ALDH1A1ITGB3ITGA2BP2RX7MEN1
SCHEMBL2861160 0.91 P2RX7 (0.59) ALDH1A1ITGB3ITGA2BP2RX7MEN1
SCHEMBL2855213 0.91 ITGB3 (0.51) ALDH1A1ALOX15ITGB3ITGA2BP2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6284912-B1 Process for synthesizing para-and/or meta-substituted cyanophenyalanine derivatives LG CHEMICAL, LTD. (KR) 2001-09-04 US claimed
US-9399653-B2 Methods and systems for preparing irreversible inhibitors of protein tyrosine phosphatases THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2016-07-26 US disclosed
US-9399653-B2 Methods and systems for preparing irreversible inhibitors of protein tyrosine phosphatases THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2016-07-26 US disclosed
US-20130165333-A1 Methods and Systems for Preparing Irreversible Inhibitors of Protein Tyrosine Phosphatases THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2013-06-27 US disclosed
US-20130165333-A1 Methods and Systems for Preparing Irreversible Inhibitors of Protein Tyrosine Phosphatases THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2013-06-27 US disclosed
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
US-6284912-B1 Process for synthesizing para-and/or meta-substituted cyanophenyalanine derivatives LG CHEMICAL, LTD. (KR) 2001-09-04 US disclosed
EP-1043309-A1 Process for synthesizing para-and/or meta-substituted cyanophenylalanine derivatives LG Chemical Ltd. (KR) 2000-10-11 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 (2 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 ALDH1A1 1622/4885ALOX15 3612/4885ITGB3 4101/4885
US-20130165333-A1 Methods and Systems for Preparing Irreversible Inhibitors of Protein Tyrosine Phosphatases SRMS, PTMS, PPM1A ALDH1A1 3679/4885ALOX15 4769/4885ITGB3 4517/4885

“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.