SCHEMBL2222227

SCHEMBL2222227

NCCC[C@H](NC(=O)N1C=CC(NCC2CNc3nc(N)[nH]c(=O)c3N2)=CC1)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FPGS Q05932 5/20 0.65
SOST Q9BQB4 1/20 0.54
GART P22102 3/20 0.48
NOS1 P29475 5/20 0.44
NOS3 P29474 1/20 0.44
NOS2 P35228 1/20 0.44
MTHFD2 P13995 2/20 0.37
MTHFD1 P11586 1/20 0.37
DHFR P00374 3/20 0.37

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
SCHEMBL2223139 0.91 FPGS (0.54) FPGSSOSTGARTNOS1NOS3
SCHEMBL2224654 0.91 FPGS (0.55) FPGSSOSTGARTNOS1NOS3
SCHEMBL7856665 0.76 FPGS (0.48) FPGSSOSTGARTNOS1NOS3
Tetrahydrofolate SCHEMBL9879710 0.70 SOST (1.00) FPGSSOSTGARTMTHFD2MTHFD1
Tetrahydrofolate SCHEMBL159231 0.70 SOST (1.00) FPGSSOSTGARTMTHFD2MTHFD1
Tetrahydrofolate SCHEMBL1069545 0.70 SOST (1.00) FPGSSOSTGARTMTHFD2MTHFD1
Tetrahydrofolate SCHEMBL8030 0.70 SOST (1.00) FPGSSOSTGARTMTHFD2MTHFD1
Tetrahydrofolate SCHEMBL2691812 0.70 SOST (1.00) FPGSSOSTGARTMTHFD2MTHFD1
Tetrahydrofolate SCHEMBL4535491 0.70 SOST (1.00) FPGSSOSTGARTMTHFD2MTHFD1
Tetrahydrofolate SCHEMBL258530 0.70 SOST (1.00) FPGSSOSTGARTMTHFD2MTHFD1

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-11219622-B2 Folate receptor binding conjugates of antifolates ENDOCYTE, INC. (US) 2022-01-11 US disclosed
US-10363250-B2 Folate receptor binding conjugates of antifolates ENDOCYTE, INC. (US) 2019-07-30 US disclosed
US-20170246314-A1 Folate Receptor Binding Conjugates of Antifolates PURDUE RESEARCH FOUNDATION (US) 2017-08-31 US disclosed
US-9549992-B2 Folate receptor binding conjugates of antifolates PURDUE RESEARCH FOUNDATION (US) 2017-01-24 US disclosed
US-20160263237-A1 Folate Receptor Binding Conjugates of Antifolates PURDUE RESEARCH FOUNDATION (US) 2016-09-15 US disclosed
US-9192682-B2 Folate receptor binding conjugates of antifolates ENDOCYTE, INC. (IN) 2015-11-24 US disclosed
US-20140213760-A1 Folate Receptor Binding Conjugates of Antifolates ENDOCYTE, INC. (US) 2014-07-31 US disclosed
US-8546425-B2 Folate receptor binding conjugates of antifolates PURDUE RESEARCH FOUNDATION (US) 2013-10-01 US disclosed
EP-2349274-A1 FOLATE RECEPTOR BINDING CONJUGATES OF ANTIFOLATES Endocyte, Inc. (US) 2011-08-03 EP disclosed
US-20110172254-A1 FOLATE RECEPTOR BINDING CONJUGATES OF ANTIFOLATES ENDOCYTE, INC. (US) 2011-07-14 US disclosed
WO-2010033733-A1 FOLATE RECEPTOR BINDING CONJUGATES OF ANTIFOLATES ENDOCYTE, INC. (US) 2010-03-25 WO 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 (6 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-20140213760-A1 Folate Receptor Binding Conjugates of Antifolates FOLR1, FOLR2, DHFR FPGS 8/4885SOST 2707/4885GART 227/4885
US-20160263237-A1 Folate Receptor Binding Conjugates of Antifolates FOLR1, FOLR2, DHFR FPGS 8/4885SOST 2707/4885GART 227/4885
US-11219622-B2 Folate receptor binding conjugates of antifolates FOLR1, FOLR2, DHFR FPGS 8/4885SOST 2707/4885GART 227/4885
US-10363250-B2 Folate receptor binding conjugates of antifolates FOLR1, FOLR2, DHFR FPGS 25/4885SOST 920/4885GART 262/4885
US-20170246314-A1 Folate Receptor Binding Conjugates of Antifolates FOLR1, FOLR2, DHFR FPGS 25/4885SOST 920/4885GART 262/4885
US-20110172254-A1 FOLATE RECEPTOR BINDING CONJUGATES OF ANTIFOLATES FOLR1, FOLR2, DHFR FPGS 8/4885SOST 2707/4885GART 227/4885

“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.