SCHEMBL5248171

SCHEMBL5248171

NC(=O)OC(=O)NCC(O)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.68
SMN1; SMN2 Q16637 5/20 0.57
NPC1 O15118 4/20 0.57
RAB9A P51151 4/20 0.57
LMNA P02545 1/20 0.56
KDM4E B2RXH2 4/20 0.53
TAAR1 Q96RJ0 1/20 0.53
AOC3 Q16853 3/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
ASAH1 Q13510 1/20 0.48
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
PKM P14618 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ALDH1A1 P00352 2/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL7460922 0.84 BCAT2 (0.47) BCAT2SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL7476838 0.84 BCAT2 (0.47) BCAT2SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL7466916 0.83 ADRB3 (0.48) BCAT2CYP1A2CYP2D6
SCHEMBL7466075 0.83 ADRB3 (0.48) BCAT2CYP1A2CYP2D6
SCHEMBL7474893 0.83 ADRB3 (0.48) BCAT2CYP1A2CYP2D6
SCHEMBL8047567 0.81 SMN1; SMN2 (0.64) BCAT2SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL3507313 0.81 BCAT2 (1.00) BCAT2SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL7465481 0.79 ADRB1 (0.50) BCAT2SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL2904416 0.79 ADRB1 (0.50) BCAT2SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL7470205 0.79 ADRB1 (0.50) BCAT2SMN1; SMN2NPC1RAB9ALMNA

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 BCAT2 840/4885SMN1; SMN2 916/4885NPC1 1500/4885
US-20030078235-A1 Carbamates of 2-heterocyclic-1,2-ethanediols CNR2, CNR1, GRIN2C BCAT2 840/4885SMN1; SMN2 916/4885NPC1 1500/4885

“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.