SCHEMBL14314

SCHEMBL14314

C=C(CC(NC(=O)c1ccc(CCc2cnc3nc(N)nc(N)c3n2)cc1)C(=O)O)C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 13/20 1.00
FOLR1 P15328 2/20 0.54
SLC19A1 P41440 2/20 0.54
SLC46A1 Q96NT5 2/20 0.54
KDM4E B2RXH2 1/20 0.54
TLR4 O00206 1/20 0.54
MEN1 O00255 1/20 0.54
ALDH1A1 P00352 1/20 0.54
LMNA P02545 1/20 0.54
TP53 P04637 1/20 0.54
TYMS P04818 1/20 0.54
GLA P06280 1/20 0.54
POLB P06746 1/20 0.54
HMGB1 P09429 1/20 0.54
MAPT P10636 1/20 0.54
FOLR2 P14207 1/20 0.54
HPGD P15428 1/20 0.54
ALOX15 P16050 1/20 0.54
ALOX12 P18054 1/20 0.54
GART P22102 1/20 0.54

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
SCHEMBL1065136 1.00 DHFR (1.00) DHFRFOLR1SLC19A1SLC46A1KDM4E
SCHEMBL29366333 1.00 DHFR (1.00) DHFRFOLR1SLC19A1SLC46A1KDM4E
SCHEMBL29430165 0.85 DHFR (1.00) DHFRFOLR1SLC19A1SLC46A1KDM4E
SCHEMBL15700766 0.85 DHFR (1.00) DHFRFOLR1SLC19A1SLC46A1KDM4E
SCHEMBL7081697 0.85 DHFR (1.00) DHFRFOLR1SLC19A1SLC46A1KDM4E
SCHEMBL25725292 0.85 DHFR (0.82) DHFRFOLR1SLC19A1SLC46A1KDM4E
SCHEMBL24192605 0.81 DHFR (0.75) DHFR
SCHEMBL24344801 0.80 DHFR (0.74) DHFRFOLR1SLC19A1SLC46A1KDM4E
SCHEMBL15530110 0.80 DHFR (0.90) DHFRFOLR1SLC19A1SLC46A1KDM4E
SCHEMBL24192971 0.80 DHFR (0.73) 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 53 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1421118-A1 A METHOD FOR THE TREATMENT OR PREVENTION OF BONE EROSION Sankyo Company Limited (JP) 2004-05-26 EP claimed
WO-2003020768-A1 A METHOD FOR THE TREATMENT OR PREVENTION OF BONE EROSION SANKYO COMPANY, LIMITED (JP) 2003-03-13 WO claimed
US-20020103212-A1 Pharmaceutical compositions containing anti-fas antibody SANKYO COMPANY, LIMITED (JP) 2002-08-01 US claimed
EP-1180369-A1 MEDICINAL COMPOSITIONS CONTAINING ANTI-Fas ANTIBODY Sankyo Company, Limited (JP) 2002-02-20 EP claimed
US-20140142109-A1 ANTIFOLATE COMBINATIONS CHELSEA THERAPEUTICS, INC. (US) 2014-05-22 US disclosed
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
US-8658652-B2 Antifolate combinations CHELSEA THERAPEUTICS, INC. (US) 2014-02-25 US disclosed
US-8530653-B2 Enzyme inhibiting compounds CHELSEA THERAPEUTICS, INC. (US) 2013-09-10 US disclosed
US-8530653-B2 Enzyme inhibiting compounds CHELSEA THERAPEUTICS, INC. (US) 2013-09-10 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-1506285-A2 COMBINATIONS OF ANTIBODIES SELECTIVE FOR A TUMOR NECROSIS FACTOR-RELATED APOPTOSIS-INDUCING LIGAND RECEPTOR AND OTHER THERAPEUTIC AGENTS UAB RESEARCH FOUNDATION (US) 2005-02-16 EP disclosed
US-6746673-B2 FOR PROPHYLAXIS AND/OR TREATMENT OF AN AUTOIMMUNE DISEASE OR RHEUMATOID ARTHRITIS SANKYO COMPANY, LIMITED (JP) 2004-06-08 US disclosed
EP-1421118-A1 A METHOD FOR THE TREATMENT OR PREVENTION OF BONE EROSION Sankyo Company Limited (JP) 2004-05-26 EP disclosed
US-20030133932-A1 Combinations of antibodies selective for a tumor necrosis factor-related apoptosis-inducing ligand receptor and other therapeutic agents UAB RESEARCH FOUNDATION, THE 2003-07-17 US disclosed
WO-2003038043-A2 COMBINATIONS OF DR5 ANTIBODY AND OTHER THERAPEUTIC AGENTS UAB RESEARCH FOUNDATION (US) 2003-05-08 WO disclosed
WO-2003020768-A1 A METHOD FOR THE TREATMENT OR PREVENTION OF BONE EROSION SANKYO COMPANY, LIMITED (JP) 2003-03-13 WO disclosed
US-20020103212-A1 Pharmaceutical compositions containing anti-fas antibody SANKYO COMPANY, LIMITED (JP) 2002-08-01 US disclosed
EP-1180369-A1 MEDICINAL COMPOSITIONS CONTAINING ANTI-Fas ANTIBODY Sankyo Company, Limited (JP) 2002-02-20 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 (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-20140142109-A1 ANTIFOLATE COMBINATIONS DHFR, MTX1, MTHFD1 DHFR 1/4885FOLR1 6/4885SLC19A1 13/4885
US-20120142692-A1 ANTIFOLATE COMBINATIONS DHFR, MTX1, MTHFD1 DHFR 1/4885FOLR1 6/4885SLC19A1 13/4885
US-20020103212-A1 Pharmaceutical compositions containing anti-fas antibody DHFR, FOLR1, FOLR2 DHFR 1/4885FOLR1 2/4885SLC19A1 33/4885

“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.