SCHEMBL4292273

SCHEMBL4292273

C[C](C)CC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)O

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 4/20 0.50
▸ PIN1 Q13526 1/20 0.50
▸ KMT2A Q03164 2/20 0.48
▸ EPHX2 P34913 1/20 0.46
▸ MDM4 O15151 2/20 0.44
▸ TP53 P04637 2/20 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
SCHEMBL13722468 0.89 CASP3 (0.52) CASP3PIN1KMT2AEPHX2MDM4
Hydrochloric Acid SCHEMBL29264282 0.87 PIN1 (0.50) CASP3PIN1KMT2AEPHX2MDM4
SCHEMBL17256589 0.86 CASP3 (0.52) CASP3PIN1KMT2AEPHX2MDM4
SCHEMBL119400 0.86 CASP3 (0.54) CASP3PIN1KMT2AEPHX2MDM4
SCHEMBL7317767 0.86 CASP3 (0.52) CASP3PIN1KMT2AEPHX2MDM4
SCHEMBL7317762 0.86 CASP3 (0.52) CASP3PIN1KMT2AEPHX2MDM4
SCHEMBL7390390 0.86 CASP3 (0.52) CASP3PIN1KMT2AEPHX2MDM4
SCHEMBL1486209 0.86 CASP3 (0.54) CASP3PIN1KMT2AEPHX2MDM4
SCHEMBL2551441 0.86 CASP3 (0.54) CASP3PIN1KMT2AEPHX2MDM4
SCHEMBL1486191 0.86 CASP3 (0.54) CASP3PIN1KMT2AEPHX2MDM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8980311-B2 Liposome-mediated ligation UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2015-03-17 — — US disclosed
US-20090196916-A1 Chemoselective ligation of hydrophobic reactants in a lipid phase; thioester and cysteine moieties that are involved in the ligation reaction are positioned within the lipid phase such that the ligation reaction takes place within the lipidic structure NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-08-06 — — US 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-20090196916-A1 Chemoselective ligation of hydrophobic reactants in a lipid phase; thioester and cysteine moieties that are involved in the ligation reaction are positioned within the lipid phase such that the ligation reaction takes place within the lipidic structure LIPA, LYPLA1, LYPLA2 CASP3 4203/4885PIN1 2135/4885KMT2A 2576/4885

“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.

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