SCHEMBL5250663

SCHEMBL5250663

NC(=O)OC(=O)NCC(O)c1cccs1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
ALOX5 P09917 1/20 0.39
OPRM1 P35372 2/20 0.39
OPRK1 P41145 2/20 0.39
POLB P06746 1/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
KEAP1 Q14145 1/20 0.39
BCAT2 O15382 1/20 0.39
KDM4E B2RXH2 2/20 0.36
SCD O00767 1/20 0.36
KMT2A Q03164 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
LMNA P02545 2/20 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
SCHEMBL5252722 0.84 ALOX5 (0.38) NPC1RAB9AALOX5OPRM1OPRK1
SCHEMBL5250384 0.84 ALOX5 (0.38) NPC1RAB9AALOX5OPRM1OPRK1
SCHEMBL5249121 0.84 ALOX5 (0.38) NPC1RAB9AALOX5OPRM1OPRK1
SCHEMBL8186357 0.79 CTSK (0.45) NPC1RAB9ACES2CES1KEAP1
SCHEMBL15064090 0.79 NPC1 (0.51) NPC1RAB9APOLBCES2CES1
SCHEMBL5248171 0.76 BCAT2 (0.68) NPC1RAB9ABCAT2KDM4EKMT2A
SCHEMBL30100972 0.76 NPC1 (0.46) NPC1RAB9APOLBCES2CES1
SCHEMBL15082543 0.76 NPC1 (0.44) NPC1RAB9ACES2CES1KEAP1
SCHEMBL18884424 0.73 AOC3 (0.50) NPC1RAB9AALOX5CES2CES1
SCHEMBL7460467 0.72 BCAT2 (0.40) NPC1RAB9AOPRK1BCAT2KMT2A

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 NPC1 1500/4885RAB9A 3414/4885ALOX5 1146/4885
US-20030078235-A1 Carbamates of 2-heterocyclic-1,2-ethanediols CNR2, CNR1, GRIN2C NPC1 1500/4885RAB9A 3414/4885ALOX5 1146/4885

“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.