SCHEMBL2861160

SCHEMBL2861160

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

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 10/20 0.59
ITGB3 P05106 5/20 0.53
ITGA2B P08514 5/20 0.53
BCL2 P10415 1/20 0.50
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 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 2/20 0.49
CTSK P43235 2/20 0.49
CTSB P07858 1/20 0.49
CTSS P25774 1/20 0.49

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
SCHEMBL2861161 1.00 P2RX7 (0.59) P2RX7ITGB3ITGA2BBCL2KDM4E
SCHEMBL7449432 0.92 P2RX7 (0.55) P2RX7ITGB3ITGA2BBCL2CTSL
SCHEMBL1826580 0.91 P2RX7 (0.58) P2RX7ITGB3ITGA2BBCL2CTSL
SCHEMBL1826579 0.91 P2RX7 (0.58) P2RX7ITGB3ITGA2BBCL2CTSL
SCHEMBL2419128 0.91 ALDH1A1 (0.56) P2RX7ITGB3ITGA2BKDM4EMEN1
SCHEMBL2861260 0.91 ALDH1A1 (0.56) P2RX7ITGB3ITGA2BKDM4EMEN1
SCHEMBL30229545 0.91 ALDH1A1 (0.54) P2RX7ITGB3ITGA2BKDM4EMEN1
SCHEMBL2856826 0.89 ITGB3 (0.52) P2RX7ITGB3ITGA2BBCL2CTSL
SCHEMBL2856829 0.89 ITGB3 (0.52) P2RX7ITGB3ITGA2BBCL2CTSL
SCHEMBL1824913 0.89 P2RX7 (0.68) P2RX7ITGB3ITGA2BBCL2

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3008056-B1 NOVEL GLP-1 RECEPTOR MODULATORS CELGENE INT II SARL (CH) 2020-12-09 EP disclosed
EP-2791112-B1 CARBOXYLIC ACID DERIVATIVES COMPRISING FOUR CYCLES ACTING AS GLP-1 RECEPTOR MODULATORS FOR THERAPY OF DISEASES SUCH AS DIABETES CELGENE INT II SÀRL (CH) 2020-09-23 EP disclosed
EP-3230276-B1 GLP-1 RECEPTOR MODULATORS CELGENE INT II SARL (CH) 2020-09-02 EP disclosed
EP-3172199-B1 PYRIMIDINE DERIVATIVES AS GLP-1 RECEPTOR MODULATORS CELGENE INT II SARL (CH) 2020-07-01 EP disclosed
US-10259823-B2 GLP-1 receptor modulators CELGENE INTERNATIONAL II SÀRL (CH) 2019-04-16 US disclosed
US-10034886-B2 GLP-1 receptor modulators CELGENE INTERNATIONAL II SÀRL (CH) 2018-07-31 US disclosed
US-20180021346-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS LLC 2018-01-25 US disclosed
US-9839664-B2 GLP-1 receptor modulators CELGENE INTERNATIONAL II SÀRL (CH) 2017-12-12 US disclosed
US-20170313717-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS LLC 2017-11-02 US disclosed
US-9795613-B2 GLP-1 receptor modulators CELGENE INTERNATIONAL II SÀRL (CH) 2017-10-24 US disclosed
US-9187522-B2 GLP-1 receptor modulators RECEPTOS, INC. (US) 2015-11-17 US disclosed
US-20150038416-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS LLC 2015-02-05 US disclosed
US-20150011527-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS LLC 2015-01-08 US disclosed
WO-2014201172-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS, INC. (US) 2014-12-18 WO disclosed
US-8778923-B2 GLP-1 receptor modulators RECEPTOS, INC. (US) 2014-07-15 US disclosed
US-20130178420-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS, INC. (US) 2013-07-11 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 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-20170313717-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R P2RX7 187/4885ITGB3 4025/4885ITGA2B 4142/4885
US-20040024229-A1 Production method for biarylalanine BCAT2, BCAT1, PAH P2RX7 4516/4885ITGB3 4101/4885ITGA2B 4475/4885
US-20180021346-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R P2RX7 187/4885ITGB3 4025/4885ITGA2B 4142/4885
US-20130178420-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R P2RX7 145/4885ITGB3 4076/4885ITGA2B 4325/4885
US-20150038416-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R P2RX7 145/4885ITGB3 4076/4885ITGA2B 4325/4885
US-10034886-B2 GLP-1 receptor modulators GLP1R, GIPR, GCGR P2RX7 183/4885ITGB3 3678/4885ITGA2B 4134/4885
US-10259823-B2 GLP-1 receptor modulators GLP1R, GIPR, GCGR P2RX7 183/4885ITGB3 3678/4885ITGA2B 4134/4885
US-20150011527-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R P2RX7 187/4885ITGB3 4025/4885ITGA2B 4142/4885

“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.