SCHEMBL5732641

SCHEMBL5732641

CC(CN1CCC[C@H]1C(=O)O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACE P12821 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
GGT1 P19440 1/20 0.44
SPHK1 Q9NYA1 1/20 0.44
CYP1A2 P05177 1/20 0.44
PREP P48147 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
SCHEMBL5732584 0.84 POLB (0.45) CYP1A2PREP
SCHEMBL10071095 0.78 ACE (0.52) ACESMN1; SMN2SPHK1
SCHEMBL1666132 0.78 SLC6A1 (0.51) ACESMN1; SMN2SPHK1CYP1A2
SCHEMBL9436228 0.78 ACE (0.67) ACE
SCHEMBL21340465 0.78 FKBP1A (0.55) PREP
SCHEMBL5732638 0.78 ACE (0.67) ACE
SCHEMBL5733034 0.78 ACE (0.67) ACE
SCHEMBL5733042 0.77 FKBP1A (0.54) PREP
SCHEMBL9436236 0.77 FKBP1A (0.54) PREP
SCHEMBL21241445 0.76 ACE (0.45) ACESMN1; SMN2SPHK1PREP

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-0973518-B1 SEMI-SYNTHETIC STUDIES TOWARD DIDEMNIN ANALOGUES UNIV ILLINOIS (US) 2006-03-29 EP disclosed
US-6841530-B2 Semi-synthetic studies toward didemnin analogues THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2005-01-11 US disclosed
EP-0973518-A4 SEMI-SYNTHETIC STUDIES TOWARD DIDEMNIN ANALOGUES UNIV ILLINOIS (US) 2004-05-26 EP disclosed
US-20020037835-A1 Semi-synthetic studies toward didemnin analogues BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS, THE 2002-03-28 US disclosed
US-20010007855-A1 SEMI-SYNTHETIC STUDIES TOWARD DIDEMNIN ANALOGUES BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS, THE 2001-07-12 US disclosed
EP-0973518-A1 SEMI-SYNTHETIC STUDIES TOWARD DIDEMNIN ANALOGUES THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2000-01-26 EP disclosed
WO-1998017275-A1 SEMI-SYNTHETIC STUDIES TOWARD DIDEMNIN ANALOGUES THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 1998-04-30 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 (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-20010007855-A1 SEMI-SYNTHETIC STUDIES TOWARD DIDEMNIN ANALOGUES FAR1, FASN, GOT1 ACE 561/4885SMN1; SMN2 1702/4885GGT1 2066/4885
US-20020037835-A1 Semi-synthetic studies toward didemnin analogues FAR1, FASN, GOT1 ACE 561/4885SMN1; SMN2 1702/4885GGT1 2066/4885

“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.