SCHEMBL21860740

SCHEMBL21860740

CCC1(c2ccc(NC(=O)OCOC(=O)C(C)(C)N)cc2)CCC(=O)NC1=O

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 19/20 0.51
CYP3A4 P08684 2/20 0.51
CYP17A1 P05093 1/20 0.51
CYP11A1 P05108 1/20 0.51
TBXAS1 P24557 1/20 0.51
PMP22 Q01453 1/20 0.51
PDE4D Q08499 1/20 0.51
PDE3A Q14432 1/20 0.51
NFKB1 P19838 1/20 0.51

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
SCHEMBL21860724 0.86 CYP19A1 (0.44) CYP19A1CYP3A4CYP17A1CYP11A1TBXAS1
SCHEMBL21860763 0.84 CYP19A1 (0.57) CYP19A1CYP3A4CYP17A1CYP11A1TBXAS1
SCHEMBL21860725 0.82 CYP19A1 (0.55) CYP19A1CYP3A4CYP17A1CYP11A1TBXAS1
SCHEMBL21860520 0.82 CYP19A1 (0.55) CYP19A1CYP3A4CYP17A1CYP11A1TBXAS1
SCHEMBL21860987 0.82 CYP19A1 (0.48) CYP19A1CYP3A4CYP17A1CYP11A1TBXAS1
SCHEMBL21860981 0.79 CYP19A1 (0.41) CYP19A1CYP3A4CYP17A1CYP11A1TBXAS1
SCHEMBL21834848 0.77 CYP19A1 (0.63) CYP19A1CYP3A4CYP17A1CYP11A1TBXAS1
Hydrochloric Acid SCHEMBL30828421 0.76 CYP19A1 (0.61) CYP19A1CYP3A4CYP17A1CYP11A1TBXAS1
Hydrochloric Acid SCHEMBL30828447 0.76 CYP19A1 (0.61) CYP19A1CYP3A4CYP17A1CYP11A1TBXAS1
SCHEMBL29277156 0.73 CYP19A1 (0.57) CYP19A1CYP3A4CYP17A1CYP11A1TBXAS1

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-20220040318-A1 PRIMARY AMINE COMPOUND OR SECONDARY AMINE COMPOUND-ACIDIC POLYSACCHARIDE CONJUGATE AND PRODUCTION METHOD THEREFOR SEIKAGAKU CORPORATION (JP) 2022-02-10 US disclosed
WO-2020067507-A1 PRIMARY AMINE COMPOUND- OR SECONDARY AMINE COMPOUND-ACIDIC POLYSACCHARIDE CONJUGATE, AND METHOD FOR PRODUCING SAME 生化学工業株式会社 2020-04-02 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 (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-20220040318-A1 PRIMARY AMINE COMPOUND OR SECONDARY AMINE COMPOUND-ACIDIC POLYSACCHARIDE CONJUGATE AND PRODUCTION METHOD THEREFOR ALG1, NGLY1, SAT1 CYP19A1 2146/4885CYP3A4 3231/4885CYP17A1 1467/4885

“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.