SCHEMBL819239

SCHEMBL819239

COC1CCN(C(=O)OCc2ccccc2)C1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
PREP P48147 1/20 0.49
CYP2C19 P33261 1/20 0.48
AGTR2 P50052 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HTT P42858 1/20 0.46

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
SCHEMBL820285 1.00 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9APREPCYP2C19
SCHEMBL23485195 1.00 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9APREPCYP2C19
SCHEMBL15589451 0.91 FKBP1A (0.49) SMN1; SMN2NPC1RAB9APREPCYP2C19
SCHEMBL30963600 0.90 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9APREPCYP2C19
SCHEMBL7659903 0.88 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9APREPCYP2C19
SCHEMBL8728752 0.86 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9APREPCYP2C19
SCHEMBL821085 0.85 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9APREPCYP2C19
SCHEMBL30963525 0.85 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9APREPCYP2C19
SCHEMBL818418 0.85 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9APREPCYP2C19
SCHEMBL21874110 0.84 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9ACYP2C19AGTR2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110288116-A1 IAP INHIBITORS TETRALOGIC PHARMACEUITCAL CORPORATION (US) 2011-11-24 US disclosed
EP-2242362-A1 IAP INHIBITORS TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2010-10-27 EP disclosed
WO-2009094287-A1 IAP INHIBITORS TETRALOGIC PHARMACEUTICAL CORPORATION (US) 2009-07-30 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-20110288116-A1 IAP INHIBITORS XIAP, BIRC5, BIRC7 SMN1; SMN2 1875/4885NPC1 2535/4885RAB9A 2105/4885

“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.