SCHEMBL11963333

SCHEMBL11963333

COCCOCCOCCOCCOCCOCCOCCOc1cccc(C2=N[C@@](C)(C(=O)O)CS2)c1O

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 8/20 0.34
KDM4E B2RXH2 7/20 0.34
PTK2B Q14289 1/20 0.34
BACE1 P56817 3/20 0.34
LMNA P02545 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
USP2 O75604 1/20 0.32
POLB P06746 1/20 0.32

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
Deferitazole SCHEMBL1270380 1.00 KMT2A (0.37) KMT2AMEN1SMN1; SMN2ALDH1A1KDM4E
Deferitazole SCHEMBL1270379 1.00 KMT2A (0.37) KMT2AMEN1SMN1; SMN2ALDH1A1KDM4E
Deferitazole SCHEMBL17209568 1.00 KMT2A (0.37) KMT2AMEN1SMN1; SMN2ALDH1A1KDM4E
Deferitazole SCHEMBL29379651 1.00 KMT2A (0.37) KMT2AMEN1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL11963290 1.00 KMT2A (0.37) KMT2AMEN1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL1317324 1.00 KMT2A (0.37) KMT2AMEN1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL11963399 1.00 KMT2A (0.37) KMT2AMEN1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL1314942 1.00 KMT2A (0.37) KMT2AMEN1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL1314947 1.00 KMT2A (0.37) KMT2AMEN1SMN1; SMN2ALDH1A1KDM4E
Deferitazole SCHEMBL15012242 0.99 KMT2A (0.37) KMT2AMEN1SMN1; SMN2ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8846731-B2 Salts and polymorphs of desazadesferrithiocin polyether analogues as metal chelation agents FERROKIN BIOSCIENCES, INC. (US) 2014-09-30 US disclosed
US-8846731-B2 Salts and polymorphs of desazadesferrithiocin polyether analogues as metal chelation agents FERROKIN BIOSCIENCES, INC. (US) 2014-09-30 US disclosed
US-8829197-B2 Salts and polymorphs of desazadesferrithiocin polyether analogues as metal chelation agents FERROKIN BIOSCIENCES, INC. (US) 2014-09-09 US disclosed
US-8829197-B2 Salts and polymorphs of desazadesferrithiocin polyether analogues as metal chelation agents FERROKIN BIOSCIENCES, INC. (US) 2014-09-09 US disclosed
US-20120270911-A1 NOVEL SALTS AND POLYMORPHS OF DESAZADESFERRITHIOCIN POLYETHER ANALOGUES AS METAL CHELATION AGENTS FERROKIN BIOSCIENCES, INC. (US) 2012-10-25 US disclosed
US-20120270911-A1 NOVEL SALTS AND POLYMORPHS OF DESAZADESFERRITHIOCIN POLYETHER ANALOGUES AS METAL CHELATION AGENTS FERROKIN BIOSCIENCES, INC. (US) 2012-10-25 US disclosed
US-20120202857-A1 NOVEL SALTS AND POLYMORPHS OF DESAZADESFERRITHIOCIN POLYETHER ANALOGUES AS METAL CHELATION AGENTS FERROKIN BIOSCIENCES, INC. (US) 2012-08-09 US disclosed
US-20120202857-A1 NOVEL SALTS AND POLYMORPHS OF DESAZADESFERRITHIOCIN POLYETHER ANALOGUES AS METAL CHELATION AGENTS FERROKIN BIOSCIENCES, INC. (US) 2012-08-09 US disclosed
US-8063227-B2 Salts and polymorphs of desazadesferrithiocin polyether analogues as metal chelation agents FERROKIN BIOSCIENCES, INC. (US) 2011-11-22 US disclosed
US-8063227-B2 Salts and polymorphs of desazadesferrithiocin polyether analogues as metal chelation agents FERROKIN BIOSCIENCES, INC. (US) 2011-11-22 US disclosed
US-20110160257-A1 NOVEL SALTS AND POLYMORPHS OF DESAZADESFERROTHIOCIN POLYETHER ANALOGUES AS METAL CHELATION AGENTS FERROKIN BIOSCIENCES, INC. (US) 2011-06-30 US disclosed
US-20110160257-A1 NOVEL SALTS AND POLYMORPHS OF DESAZADESFERROTHIOCIN POLYETHER ANALOGUES AS METAL CHELATION AGENTS FERROKIN BIOSCIENCES, INC. (US) 2011-06-30 US disclosed
US-20100137383-A1 NOVEL SALTS AND POLYMORPHS OF DESAZADESFERROTHIOCIN POLYETHER ANALOGUES AS METAL CHELATION AGENTS FERROKIN BIOSCIENCES, INC. (US) 2010-06-03 US disclosed
US-20100137383-A1 NOVEL SALTS AND POLYMORPHS OF DESAZADESFERROTHIOCIN POLYETHER ANALOGUES AS METAL CHELATION AGENTS FERROKIN BIOSCIENCES, INC. (US) 2010-06-03 US disclosed
WO-2010009120-A2 NOVEL SALTS AND POLYMORPHS OF DESAZADESFERRITHIOCIN POLYETHER ANALOGUES AS METAL CHELATION AGENTS FERROKIN BIOSCIENCES, INC. (US) 2010-01-21 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 (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-20110160257-A1 NOVEL SALTS AND POLYMORPHS OF DESAZADESFERROTHIOCIN POLYETHER ANALOGUES AS METAL CHELATION AGENTS SLC39A14, SLC40A1, SLC39A11 KMT2A 3963/4885MEN1 1802/4885SMN1; SMN2 1962/4885
US-20120202857-A1 NOVEL SALTS AND POLYMORPHS OF DESAZADESFERRITHIOCIN POLYETHER ANALOGUES AS METAL CHELATION AGENTS SLC39A14, SLC40A1, SLC39A11 KMT2A 3881/4885MEN1 1725/4885SMN1; SMN2 1906/4885
US-20120270911-A1 NOVEL SALTS AND POLYMORPHS OF DESAZADESFERRITHIOCIN POLYETHER ANALOGUES AS METAL CHELATION AGENTS SLC39A14, SLC40A1, SLC39A11 KMT2A 3881/4885MEN1 1725/4885SMN1; SMN2 1906/4885
US-20100137383-A1 NOVEL SALTS AND POLYMORPHS OF DESAZADESFERROTHIOCIN POLYETHER ANALOGUES AS METAL CHELATION AGENTS SLC39A14, SLC40A1, SLC39A11 KMT2A 3963/4885MEN1 1802/4885SMN1; SMN2 1962/4885

“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.