SCHEMBL1128106

SCHEMBL1128106

C=C(CC(NC(=O)c1ccc(CCc2ccc3nc(N)nc(N)c3c2)cc1)C(=O)OCC)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
DHFR P00374 9/20 0.53

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
SCHEMBL13123230 0.94 DHFR (0.51) DHFR
SCHEMBL9916086 0.93 DHFR (0.54) DHFR
SCHEMBL9916149 0.93 DHFR (0.54) DHFR
Ch-1504 L-Isomer SCHEMBL1052620 0.89 DHFR (0.65) DHFR
Ch-1504 L-Isomer SCHEMBL29430181 0.89 DHFR (0.65) DHFR
Ch-1504 SCHEMBL29430185 0.89 DHFR (0.65) DHFR
Ch-1504 SCHEMBL7281 0.89 DHFR (0.65) DHFR
SCHEMBL1128102 0.87 DHFR (0.53) DHFR
SCHEMBL6974948 0.87 DHFR (0.53) DHFR
SCHEMBL6974971 0.84 DHFR (0.56) DHFR

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-20090253719-A1 CRYSTALLINE SALT FORMS OF ANTIFOLATE COMPOUNDS AND METHODS OF MANUFACTURING THEREOF CHELSEA THERAPEUTICS, INC. 2009-10-08 US claimed
US-20140142109-A1 ANTIFOLATE COMBINATIONS CHELSEA THERAPEUTICS, INC. (US) 2014-05-22 US disclosed
US-8658652-B2 Antifolate combinations CHELSEA THERAPEUTICS, INC. (US) 2014-02-25 US disclosed
WO-2012078708-A1 COMBINATION COMPRISING METHOTREXATE AND AN ANTIFOLATE COMPOUND CHELSEA THERAPEUTICS, INC. (US) 2012-06-14 WO disclosed
US-20120142692-A1 ANTIFOLATE COMBINATIONS CHELSEA THERAPEUTICS, INC. 2012-06-07 US disclosed
EP-2300441-A1 CRYSTALLINE SALT FORMS OF ANTIFOLATE COMPOUNDS AND METHODS OF MANUFACTURING THEREOF Chelsea Therapeutics, Inc. (US) 2011-03-30 EP disclosed
EP-2282740-A1 ANTIFOLATE COMPOSITIONS Chelsea Therapeutics, Inc. (US) 2011-02-16 EP disclosed
WO-2009126637-A1 ANTIFOLATE COMPOSITIONS CHELSEA THERAPEUTICS, INC. (US) 2009-10-15 WO disclosed
WO-2009126639-A1 CRYSTALLINE SALT FORMS OF ANTIFOLATE COMPOUNDS AND METHODS OF MANUFACTURING THEREOF CHELSEA THERAPEUTICS, INC. (US) 2009-10-15 WO disclosed
US-20090253720-A1 ANTIFOLATE COMPOSITIONS CHELSEA THERAPEUTICS, INC. 2009-10-08 US disclosed
US-20090253719-A1 CRYSTALLINE SALT FORMS OF ANTIFOLATE COMPOUNDS AND METHODS OF MANUFACTURING THEREOF CHELSEA THERAPEUTICS, INC. 2009-10-08 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 (4 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-20140142109-A1 ANTIFOLATE COMBINATIONS DHFR, MTX1, MTHFD1 DHFR 1/4885
US-20120142692-A1 ANTIFOLATE COMBINATIONS DHFR, MTX1, MTHFD1 DHFR 1/4885
US-20090253720-A1 ANTIFOLATE COMPOSITIONS FDFT1, SLC19A1, FIBP DHFR 4/4885
US-20090253719-A1 CRYSTALLINE SALT FORMS OF ANTIFOLATE COMPOUNDS AND METHODS OF MANUFACTURING THEREOF SLC7A1, SLC10A1, SLC10A6 DHFR 10/4885

“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.