SCHEMBL2827666

SCHEMBL2827666

O=C1c2ccccc2C(=O)N1OC(=S)N(C1CCCCC1)C1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 2/20 0.41
ALDH1A1 P00352 5/20 0.41
MAPT P10636 2/20 0.41
PKM P14618 2/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
MC4R P32245 1/20 0.41
CYP2C19 P33261 1/20 0.40
LMNA P02545 1/20 0.37
KMT2A Q03164 3/20 0.36
KDM4E B2RXH2 2/20 0.36
APAF1 O14727 1/20 0.36
NPC1 O15118 1/20 0.36
TDP2 O95551 1/20 0.36
S1PR4 O95977 1/20 0.36
HSP90AA1 P07900 1/20 0.36
XBP1 P17861 1/20 0.36
S1PR1 P21453 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
SCHEMBL11964042 0.84 SPHK1 (0.45) SPHK1ALDH1A1MAPTPKMHPGD
SCHEMBL27831899 0.76 CYP2C19 (0.43) SPHK1ALDH1A1MAPTPKMHPGD
SCHEMBL2828593 0.75 GAA (0.42) ALDH1A1MAPTHPGDALOX15CYP2C19
SCHEMBL13479740 0.73 CYP2C19 (0.55) ALDH1A1MAPTPKMHPGDHSD17B10
SCHEMBL2827279 0.73 CASP3 (0.44) ALDH1A1MAPTHPGDCYP2C19LMNA
SCHEMBL22716072 0.71 CYP2C19 (0.49) ALDH1A1MAPTPKMHPGDHSD17B10
SCHEMBL22715137 0.71 CYP2C19 (0.53) ALDH1A1MAPTPKMHPGDHSD17B10
SCHEMBL15306510 0.70 KMT2A (0.38) SPHK1ALDH1A1MAPTPKMHPGD
SCHEMBL12892550 0.70 ALDH1A1 (0.54) ALDH1A1HPGDCYP2C19LMNAKMT2A
SCHEMBL10848836 0.68 ALDH1A1 (0.50) ALDH1A1MAPTPKMHPGDHSD17B10

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
EP-1828258-B1 N-SUBSTITUTED IMIDES AS POLYMERIZATION INITIATORS BASF SE (DE) 2010-06-30 EP disclosed
US-7723399-B2 N-substituted imides as polymerization initiators CIBA SPECIALTY CHEMICALS CORPORATION (US) 2010-05-25 US disclosed
US-7723399-B2 N-substituted imides as polymerization initiators CIBA SPECIALTY CHEMICALS CORPORATION (US) 2010-05-25 US disclosed
US-7723399-B2 N-substituted imides as polymerization initiators CIBA SPECIALTY CHEMICALS CORPORATION (US) 2010-05-25 US disclosed
US-20080132600-A1 N-Substituted Imides As Polymerization Initiators CIBA SPECIALTY CHEMICALS CORP. 2008-06-05 US disclosed
US-20080132600-A1 N-Substituted Imides As Polymerization Initiators CIBA SPECIALTY CHEMICALS CORP. 2008-06-05 US disclosed
US-20080132600-A1 N-Substituted Imides As Polymerization Initiators CIBA SPECIALTY CHEMICALS CORP. 2008-06-05 US disclosed
CN-101056893-A N-substituted imides as polymerization initiators CIBA SC HOLDING AG (CH) 2007-10-17 CN 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 (1 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-20080132600-A1 N-Substituted Imides As Polymerization Initiators NR1H3, SIGMAR1, NR1H2 SPHK1 1929/4885ALDH1A1 2799/4885MAPT 4750/4885

“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.