SCHEMBL5249121

SCHEMBL5249121

NC(=O)OC(=O)NC[C@H](OC(N)=O)c1cccs1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.38
OPRM1 P35372 2/20 0.38
OPRK1 P41145 2/20 0.38
POLB P06746 1/20 0.38
CTSK P43235 3/20 0.36
KDM4E B2RXH2 2/20 0.36
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
KEAP1 Q14145 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL5250384 1.00 ALOX5 (0.38) ALOX5OPRM1OPRK1POLBCTSK
SCHEMBL5252722 1.00 ALOX5 (0.38) ALOX5OPRM1OPRK1POLBCTSK
SCHEMBL5250663 0.84 NPC1 (0.42) ALOX5OPRM1OPRK1POLBCTSK
SCHEMBL5246383 0.78 GABBR2 (0.40) POLBKDM4ECYP3A4CYP2D6MAPT
SCHEMBL5245436 0.78 GABBR2 (0.40) POLBKDM4ECYP3A4CYP2D6MAPT
SCHEMBL5246081 0.78 GABBR2 (0.40) POLBKDM4ECYP3A4CYP2D6MAPT
SCHEMBL5247882 0.77 GAA (0.33) KDM4ECES2CES1KMT2A
SCHEMBL5246673 0.77 ALOX5 (0.40) ALOX5POLBCYP2C9CYP2C19LMNA
SCHEMBL5248147 0.77 GAA (0.33) KDM4ECES2CES1KMT2A
SCHEMBL5248608 0.77 GAA (0.33) KDM4ECES2CES1KMT2A

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
EP-1406605-B1 CARBAMATES OF 2-HETEROCYCLIC-1,2-ETHANEDIOLS SK CORP (KR) 2007-09-19 EP disclosed
EP-1406605-A4 CARBAMATES OF 2-HETEROCYCLIC-1,2-ETHANEDIOLS SK CORP (KR) 2005-10-26 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
EP-1406605-A1 CARBAMATES OF 2-HETEROCYCLIC-1,2-ETHANEDIOLS SK Corporation (KR) 2004-04-14 EP disclosed
US-20030078235-A1 Carbamates of 2-heterocyclic-1,2-ethanediols SK BIOPHARMACEUTICALS CO., LTD. (KR) 2003-04-24 US disclosed
WO-2003000247-A1 CARBAMATES OF 2-HETEROCYCLIC-1,2-ETHANEDIOLS SK CORPORATION (KR) 2003-01-03 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 (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 ALOX5 1146/4885OPRM1 576/4885OPRK1 668/4885
US-20030078235-A1 Carbamates of 2-heterocyclic-1,2-ethanediols CNR2, CNR1, GRIN2C ALOX5 1146/4885OPRM1 576/4885OPRK1 668/4885

“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.