SCHEMBL5247902

SCHEMBL5247902

O=C(OC(CO)c1cccs1)OC(CO)c1cccs1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.42
CES1 P23141 2/20 0.42
KEAP1 Q14145 1/20 0.42
ALOX5 P09917 1/20 0.39
SLC6A2 P23975 9/20 0.38
SLC6A4 P31645 9/20 0.38
SLC6A3 Q01959 8/20 0.38
GLS O94925 1/20 0.37
CYP2C19 P33261 2/20 0.37
KMT2A Q03164 2/20 0.36
NPC1 O15118 2/20 0.36
ALDH1A1 P00352 2/20 0.36
RAB9A P51151 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
MLNR O43193 1/20 0.36
CACNA1F O60840 1/20 0.36
CYP1A2 P05177 1/20 0.36
ADRB1 P08588 1/20 0.36

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
SCHEMBL5247893 0.88 CES2 (0.41) CES2CES1KEAP1ALOX5SLC6A2
SCHEMBL5915082 0.74 CACNA2D1 (0.45) ALOX5ALDH1A1LMNAPOLB
SCHEMBL5914999 0.74 CACNA2D1 (0.45) ALOX5ALDH1A1LMNAPOLB
SCHEMBL4215659 0.70 GLS (0.48) CES2CES1KEAP1ALOX5GLS
Bicarbonate SCHEMBL5247907 0.70 CES2 (0.49) CES2CES1KEAP1ALOX5GLS
SCHEMBL9931140 0.70 SLC6A2 (0.36) CES2CES1KEAP1ALOX5SLC6A2
SCHEMBL6453628 0.70 HSD17B2 (0.42) CES2CES1KEAP1ALOX5CYP2C19
SCHEMBL6451012 0.69 FFAR1 (0.41) CES2CES1KEAP1ALOX5CYP2C19
SCHEMBL5245778 0.69
SCHEMBL2251571 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1406605-B1 CARBAMATES OF 2-HETEROCYCLIC-1,2-ETHANEDIOLS SK CORP (KR) 2007-09-19 EP disclosed
US-20050065193-A1 Carbamates of 2-heterocyclic-1,2-ethanediols SK CORPORATION 2005-03-24 US disclosed
US-6841569-B2 Carbamates of 2-heterocyclic-1,2-ethanediols SK CORPORATION (US) 2005-01-11 US disclosed
US-20030078235-A1 Carbamates of 2-heterocyclic-1,2-ethanediols SK BIOPHARMACEUTICALS CO., LTD. (KR) 2003-04-24 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 (2 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-20050065193-A1 Carbamates of 2-heterocyclic-1,2-ethanediols CNR2, CNR1, GRIN2C CES2 8/4885CES1 159/4885KEAP1 2923/4885
US-20030078235-A1 Carbamates of 2-heterocyclic-1,2-ethanediols CNR2, CNR1, GRIN2C CES2 8/4885CES1 159/4885KEAP1 2923/4885

“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.