SCHEMBL1300469

SCHEMBL1300469

N[C@H]1CC=CC[C@H]2CC[C@@H](C(=O)OCc3ccccc3)N2C1=O

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 10/20 0.48
CASP1 P29466 2/20 0.41
CASP3 P42574 1/20 0.40
CASP8 Q14790 1/20 0.40
FABP7 O15540 1/20 0.39
FABP5 Q01469 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ELANE P08246 3/20 0.39

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
SCHEMBL1300468 1.00 FKBP1A (0.48) FKBP1ACASP1CASP3CASP8FABP7
SCHEMBL1300466 1.00 FKBP1A (0.48) FKBP1ACASP1CASP3CASP8FABP7
SCHEMBL9609008 0.89 FKBP1A (0.48) FKBP1ACASP1FABP7FABP5HPGD
SCHEMBL12109076 0.86 FKBP1A (0.46) FKBP1ACYP2C19SMN1; SMN2ELANE
SCHEMBL12898945 0.86 FKBP1A (0.48) FKBP1ACASP1HPGDELANE
SCHEMBL30527653 0.85 FKBP1A (0.60) FKBP1ACASP1
SCHEMBL31384865 0.83 FKBP1A (0.50) FKBP1ACASP1
SCHEMBL31384867 0.80 FKBP1A (0.45) FKBP1ACASP1HPGDELANE
SCHEMBL31384899 0.80 FKBP1A (0.45) FKBP1ACASP1ELANE
SCHEMBL25408533 0.79 FKBP1A (0.51) FKBP1ACYP2C19SMN1; SMN2ELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11542492-B2 Ligand-directed covalent modification of protein CELGENE CAR LLC (BM) 2023-01-03 US disclosed
US-20170218353-A1 Ligand-Directed Covalent Modification of Protein CELGENE CAR LLC (BM) 2017-08-03 US disclosed
EP-2519664-A1 LIGAND-DIRECTED COVALENT MODIFICATION OF PROTEIN Avila Therapeutics, Inc. (US) 2012-11-07 EP disclosed
US-20110269244-A1 LIGAND-DIRECTED COVALENT MODIFICATION OF PROTEIN CELGENE CAR LLC (BM) 2011-11-03 US disclosed
WO-2011082285-A1 LIGAND-DIRECTED COVALENT MODIFICATION OF PROTEIN AVILA THERAPEUTICS, INC. (US) 2011-07-07 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 (3 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-11542492-B2 Ligand-directed covalent modification of protein PTMS, SPR, DNPEP FKBP1A 617/4885CASP1 4516/4885CASP3 4773/4885
US-20110269244-A1 LIGAND-DIRECTED COVALENT MODIFICATION OF PROTEIN PTMS, SPR, DNPEP FKBP1A 617/4885CASP1 4516/4885CASP3 4773/4885
US-20170218353-A1 Ligand-Directed Covalent Modification of Protein PTMS, SPR, DNPEP FKBP1A 617/4885CASP1 4516/4885CASP3 4773/4885

“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.