SCHEMBL26644663

SCHEMBL26644663

C=CC[C@@]1(C(=O)OC(CC(C)C)C(=O)O)CCCN1C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 1/20 0.32
CASP3 P42574 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL26644664 1.00 CD274 (0.32) CD274CASP3CYP1A2CYP3A4CYP2D6
SCHEMBL26644661 1.00 CD274 (0.32) CD274CASP3CYP1A2CYP3A4CYP2D6
SCHEMBL17024344 0.83 EPHX2 (0.39) CD274
SCHEMBL29268531 0.73 OPRD1 (0.42) CASP3
SCHEMBL10048579 0.72 FABP5 (0.44) CASP3CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL10016953 0.72 FABP5 (0.44) CASP3CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL7361552 0.71
SCHEMBL14377686 0.71 FABP5 (0.37) CASP3TSHR
SCHEMBL9740757 0.71 EPHX2 (0.34)
SCHEMBL2583781 0.70 EPHX2 (0.43) CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230357320-A1 HELICAL STAPLED PEPTIDES AND USES THEREOF PARABILIS MEDICINES, INC. 2023-11-09 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-20230357320-A1 HELICAL STAPLED PEPTIDES AND USES THEREOF ESRRB, ESR1, ESRRA CD274 821/4885CASP3 1532/4885CYP1A2 4868/4885

“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.