SCHEMBL2637772

SCHEMBL2637772

COCCOCCOCCOc1ccc(C2=N[C@@](C)(C(=O)OO)CS2)c(O)c1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 6/20 0.35
CHEK1 O14757 3/20 0.35
CHEK2 O96017 2/20 0.35
KDM4E B2RXH2 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
BACE1 P56817 2/20 0.33
ICAM1 P05362 2/20 0.33
SELE P16581 2/20 0.33
MIF P14174 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
SLC22A12 Q96S37 1/20 0.32
APP P05067 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
SCHEMBL12841233 0.93 OPRK1 (0.36) OPRK1CHEK1CHEK2KDM4ETDP1
SCHEMBL15029754 0.93 OPRK1 (0.36) OPRK1CHEK1CHEK2KDM4ETDP1
SCHEMBL1534231 0.90 OPRK1 (0.35) OPRK1CHEK1KDM4ETDP1BACE1
SCHEMBL1534182 0.90 OPRK1 (0.35) OPRK1CHEK1KDM4ETDP1BACE1
SCHEMBL30662548 0.90 OPRK1 (0.35) OPRK1CHEK1KDM4ETDP1BACE1
SCHEMBL12850782 0.90 OPRK1 (0.35) OPRK1CHEK1KDM4ETDP1BACE1
SCHEMBL16975985 0.90 OPRK1 (0.36) OPRK1CHEK1CHEK2KDM4ETDP1
SCHEMBL11963323 0.90 SLC22A12 (0.37) OPRK1CHEK1CHEK2KDM4ETDP1
SCHEMBL18499305 0.90 OPRK1 (0.36) OPRK1CHEK1CHEK2KDM4ETDP1
SCHEMBL15923274 0.90 SLC22A12 (0.37) OPRK1CHEK1CHEK2KDM4ETDP1

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 8 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-8710087-B2 Salts and polymorphs of desazadesferrithiocin polyether analogues as metal chelation agents FERROKIN BIOSCIENCES, INC. (US) 2014-04-29 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-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
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 OPRK1 1535/4885CHEK1 4261/4885CHEK2 4363/4885
US-20120202857-A1 NOVEL SALTS AND POLYMORPHS OF DESAZADESFERRITHIOCIN POLYETHER ANALOGUES AS METAL CHELATION AGENTS SLC39A14, SLC40A1, SLC39A11 OPRK1 1704/4885CHEK1 4176/4885CHEK2 4248/4885
US-20120270911-A1 NOVEL SALTS AND POLYMORPHS OF DESAZADESFERRITHIOCIN POLYETHER ANALOGUES AS METAL CHELATION AGENTS SLC39A14, SLC40A1, SLC39A11 OPRK1 1704/4885CHEK1 4176/4885CHEK2 4248/4885
US-20100137383-A1 NOVEL SALTS AND POLYMORPHS OF DESAZADESFERROTHIOCIN POLYETHER ANALOGUES AS METAL CHELATION AGENTS SLC39A14, SLC40A1, SLC39A11 OPRK1 1535/4885CHEK1 4261/4885CHEK2 4363/4885

“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.