SCHEMBL11963155

SCHEMBL11963155

Cc1ccc(C2=N[C@@](C)(C(=O)O)CS2)c(O)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.35
KMT2A Q03164 6/20 0.35
RAB9A P51151 6/20 0.35
NPC1 O15118 4/20 0.35
TP53 P04637 3/20 0.35
CSNK2A1 P68400 1/20 0.35
GRK6 P43250 1/20 0.34
TRPA1 O75762 1/20 0.33
MAPT P10636 1/20 0.33
NFKB1 P19838 1/20 0.33
AHR P35869 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
NPSR1 Q6W5P4 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
ALOX15 P16050 2/20 0.32
CASP3 P42574 1/20 0.32
ATM Q13315 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 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
SCHEMBL11963087 0.89 KMT2A (0.34) MEN1KMT2ARAB9ANPC1TP53
Deferitrin SCHEMBL1272026 0.87 TYR (0.35) MAPTHPGD
SCHEMBL6314483 0.85 KDM4E (0.40) MAPTL3MBTL1HPGD
SCHEMBL6314485 0.85 KDM4E (0.40) MAPTL3MBTL1HPGD
SCHEMBL20175941 0.83 ALDH1A1 (0.35) MEN1KMT2ARAB9ANPC1TP53
SCHEMBL1534233 0.83 HTR2B (0.44) RAB9ANPC1TP53MAPTTDP1
SCHEMBL3301483 0.83 NPC1 (0.40) MEN1KMT2ARAB9ANPC1GRK6
SCHEMBL3301476 0.83 NPC1 (0.40) MEN1KMT2ARAB9ANPC1GRK6
SCHEMBL13318367 0.83 ACMSD (0.32) MEN1KMT2AMAPTALOX15TDP1
SCHEMBL10331305 0.83 ACMSD (0.32) MEN1KMT2AMAPTALOX15TDP1

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 7 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-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-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-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

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 MEN1 1802/4885KMT2A 3963/4885RAB9A 1109/4885
US-20120202857-A1 NOVEL SALTS AND POLYMORPHS OF DESAZADESFERRITHIOCIN POLYETHER ANALOGUES AS METAL CHELATION AGENTS SLC39A14, SLC40A1, SLC39A11 MEN1 1725/4885KMT2A 3881/4885RAB9A 1221/4885
US-20120270911-A1 NOVEL SALTS AND POLYMORPHS OF DESAZADESFERRITHIOCIN POLYETHER ANALOGUES AS METAL CHELATION AGENTS SLC39A14, SLC40A1, SLC39A11 MEN1 1725/4885KMT2A 3881/4885RAB9A 1221/4885
US-20100137383-A1 NOVEL SALTS AND POLYMORPHS OF DESAZADESFERROTHIOCIN POLYETHER ANALOGUES AS METAL CHELATION AGENTS SLC39A14, SLC40A1, SLC39A11 MEN1 1802/4885KMT2A 3963/4885RAB9A 1109/4885

“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.