SCHEMBL25817029

SCHEMBL25817029

C=CCOC(=O)[C@@H]1C[C@@H](OC2CCCC(COC)O2)CN1C(=O)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PRCP P42785 1/20 0.33
▸ CYP19A1 P11511 1/20 0.33
▸ EPHX2 P34913 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ OPRD1 P41143 1/20 0.31

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
SCHEMBL25862310 0.91 CYP19A1 (0.37) PRCPCYP19A1
SCHEMBL19391070 0.84 CYP19A1 (0.34) PRCPCYP19A1
SCHEMBL20331946 0.83 CYP19A1 (0.33) PRCPCYP19A1
SCHEMBL20733344 0.83 CYP19A1 (0.33) PRCPCYP19A1
SCHEMBL20332541 0.83 CYP19A1 (0.33) PRCPCYP19A1
SCHEMBL21533087 0.83 CYP19A1 (0.33) PRCPCYP19A1
SCHEMBL20739051 0.83 CYP19A1 (0.33) PRCPCYP19A1
SCHEMBL22064639 0.83 CYP19A1 (0.33) PRCPCYP19A1
SCHEMBL19391281 0.83 CYP19A1 (0.33) PRCPCYP19A1
SCHEMBL25993221 0.82 CYP19A1 (0.32) CYP19A1

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-20230220001-A1 METHOD FOR SYNTHESIS OF THIOETHER-CONTAINING PEPTIDES HEIDELBERG PHARMA RESEARCH GMBH (DE) 2023-07-13 — — 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-20230220001-A1 METHOD FOR SYNTHESIS OF THIOETHER-CONTAINING PEPTIDES TST, PTMS, CTH PRCP 588/4885CYP19A1 3060/4885EPHX2 1757/4885

“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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