SCHEMBL8667639

SCHEMBL8667639

O=C(N[C@H](Cc1ccc(O)cc1)C(=O)O)c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.69
CA1 P00915 4/20 0.69
PTPN1 P18031 2/20 0.68
CTSL P07711 1/20 0.67
ACE P12821 3/20 0.64
MME P08473 1/20 0.60
GPR132 Q9UNW8 1/20 0.60
ITGB3 P05106 1/20 0.60
ITGA2B P08514 1/20 0.60
CA12 O43570 1/20 0.59
CA9 Q16790 1/20 0.59
GRIA1 P42261 1/20 0.58
FOLH1 Q04609 1/20 0.57
NAALAD2 Q9Y3Q0 1/20 0.57

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
SCHEMBL3404637 1.00 CA2 (0.69) CA2CA1PTPN1CTSLACE
SCHEMBL5793343 1.00 CA2 (0.69) CA2CA1PTPN1CTSLACE
Alcohol SCHEMBL19231109 0.94 CTSL (0.65) CA2CA1PTPN1CTSLACE
SCHEMBL3497780 0.94 PTPN1 (0.72) CA2CA1PTPN1CTSLACE
SCHEMBL8520566 0.94 PTPN1 (0.72) CA2CA1PTPN1CTSLACE
SCHEMBL4054766 0.94 CA2 (0.77) CA2CA1PTPN1CTSLACE
SCHEMBL4054764 0.94 CA2 (0.77) CA2CA1PTPN1CTSLACE
SCHEMBL8671997 0.94 CA2 (0.77) CA2CA1PTPN1CTSLACE
SCHEMBL13669589 0.93 CTSL (0.67) CA2CA1PTPN1CTSLACE
SCHEMBL4369236 0.93 CTSL (0.67) CA2CA1PTPN1CTSLACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5767158-A FOR BLEACHING SKIN SHISEIDO CO., LTD. (JP) 1998-06-16 US claimed
WO-2020216240-A1 DICYCLIC ALKANE COMPOUND USEFUL AS INHIBITOR OF PLASMA KALLIKREIN 南京明德新药研发有限公司 2020-10-29 WO disclosed
EP-2409569-B1 Method for administering GLP-1 molecules EMISPHERE TECH INC (US) 2017-08-16 EP disclosed
EP-1478233-B1 METHOD FOR ADMINISTERING GLP-1 MOLECULES EMISPHERE TECH INC (US) 2016-11-09 EP disclosed
US-20150202296-A1 METHOD FOR ADMINISTERING GLP-1 MOLECULES NOVO NORDISK NORTH AMERICA OPERATIONS A/S (DK) 2015-07-23 US disclosed
US-20150202296-A1 METHOD FOR ADMINISTERING GLP-1 MOLECULES NOVO NORDISK NORTH AMERICA OPERATIONS A/S (DK) 2015-07-23 US disclosed
US-8492330-B2 Formulation comprising GLP-1 EMISPHERE TECHNOLOGIES, INC. (US) 2013-07-23 US disclosed
US-8492330-B2 Formulation comprising GLP-1 EMISPHERE TECHNOLOGIES, INC. (US) 2013-07-23 US disclosed
EP-2409569-A2 Method for administering GLP-1 molecules Emisphere Technologies, Inc. (US) 2012-01-25 EP disclosed
US-20110178006-A1 METHOD FOR ADMINISTERING GLP-1 MOLECULES EMISPHERE TECHNOLOGIES, INC. (US) 2011-07-21 US disclosed
US-7939494-B2 Method for administering GLP-1 molecules EMISPHERE TECHNOLOGIES, INC. (US) 2011-05-10 US disclosed
US-7939494-B2 Method for administering GLP-1 molecules EMISPHERE TECHNOLOGIES, INC. (US) 2011-05-10 US disclosed
US-20090286735-A1 METHOD FOR ADMINISTERING GLP-1 MOLECULES NOVO NORDISK NORTH AMERICA OPERATIONS A/S (DK) 2009-11-19 US disclosed
US-20090286735-A1 METHOD FOR ADMINISTERING GLP-1 MOLECULES NOVO NORDISK NORTH AMERICA OPERATIONS A/S (DK) 2009-11-19 US disclosed
US-5767158-A FOR BLEACHING SKIN SHISEIDO CO., LTD. (JP) 1998-06-16 US disclosed
EP-0728469-A2 An endermic liniment SHISEIDO COMPANY LIMITED (JP) 1996-08-28 EP disclosed
US-5219731-A Cleaving an oxazolone precursor with lipase WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1993-06-15 US 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 (3 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-20150202296-A1 METHOD FOR ADMINISTERING GLP-1 MOLECULES GLP1R, GIPR, GPR119 CA2 1611/4885CA1 2850/4885PTPN1 1737/4885
US-20110178006-A1 METHOD FOR ADMINISTERING GLP-1 MOLECULES GLP1R, GIPR, GPR119 CA2 1611/4885CA1 2850/4885PTPN1 1737/4885
US-20090286735-A1 METHOD FOR ADMINISTERING GLP-1 MOLECULES GLP1R, GIPR, GPR119 CA2 1611/4885CA1 2850/4885PTPN1 1737/4885

“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.