SCHEMBL1048693

SCHEMBL1048693

CS(=O)(=O)OCC1CCCCN1Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.51
FAAH O00519 4/20 0.48
VEGFA P15692 1/20 0.47
EGLN1 Q9GZT9 1/20 0.47
SPHK1 Q9NYA1 2/20 0.45
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC1 Q13547 1/20 0.44

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
SCHEMBL17154894 0.90 GBA1 (0.43) OPRD1FAAHVEGFAEGLN1SPHK1
SCHEMBL16416167 0.85 SPHK1 (0.47) OPRD1FAAHVEGFAEGLN1SPHK1
SCHEMBL20945152 0.82 SPHK2 (0.53) SPHK1HDAC8HDAC6HDAC1
SCHEMBL24524824 0.80 GBA1 (0.44)
SCHEMBL25484823 0.80 GBA1 (0.44)
SCHEMBL23556843 0.80 GBA1 (0.44)
SCHEMBL24338282 0.80 GBA1 (0.44)
SCHEMBL24328 0.80 SIGMAR1 (0.56)
SCHEMBL7448432 0.80 OPRD1 (0.56) OPRD1FAAHVEGFAEGLN1HDAC8
SCHEMBL30339801 0.80 OPRD1 (0.44) OPRD1

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
US-20120295903-A1 FLAVIN DERIVATIVES BLOUNT KENNETH F (US) 2012-11-22 US disclosed
US-20120295903-A1 FLAVIN DERIVATIVES BLOUNT KENNETH F (US) 2012-11-22 US disclosed
EP-2448926-A1 FLAVIN DERIVATIVES Biorelix, Inc. (US) 2012-05-09 EP disclosed
WO-2011008247-A1 FLAVIN DERIVATIVES BIORELIX, INC. (US) 2011-01-20 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 (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-20120295903-A1 FLAVIN DERIVATIVES BLVRB, FLAD1, FDPS OPRD1 3096/4885FAAH 1571/4885VEGFA 3767/4885

“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.