SCHEMBL16731585

SCHEMBL16731585

C[C@@H](OC(=O)C12CC3CC(CC(C3)C1)C2)C(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 6/20 0.50
CYP19A1 P11511 6/20 0.50
PRKCA P17252 1/20 0.47
SCN1A P35498 1/20 0.41
SCN2A Q99250 1/20 0.41
SCN3A Q9NY46 1/20 0.41
MAPT P10636 2/20 0.40
GAA P10253 1/20 0.40
XBP1 P17861 1/20 0.40
CA2 P00918 1/20 0.40
HSD11B1 P28845 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GLA P06280 1/20 0.39
LMNA P02545 1/20 0.38

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
SCHEMBL16731576 1.00 CYP17A1 (0.50) CYP17A1CYP19A1PRKCASCN1ASCN2A
SCHEMBL16731584 1.00 CYP17A1 (0.50) CYP17A1CYP19A1PRKCASCN1ASCN2A
SCHEMBL6367597 0.86 CYP17A1 (0.48) CYP17A1CYP19A1PRKCASCN1ASCN2A
SCHEMBL16938867 0.84 CYP17A1 (0.49) CYP17A1CYP19A1PRKCASCN1ASCN2A
SCHEMBL16589179 0.81 CYP17A1 (0.47) CYP17A1CYP19A1PRKCASCN1ASCN2A
SCHEMBL12110237 0.81 CYP17A1 (0.47) CYP17A1CYP19A1PRKCASCN1ASCN2A
SCHEMBL16731832 0.81 CYP17A1 (0.55) CYP17A1CYP19A1PRKCASCN1ASCN2A
SCHEMBL19475250 0.79 CYP17A1 (0.54) CYP17A1CYP19A1PRKCASCN1ASCN2A
SCHEMBL16169967 0.79 CYP17A1 (0.45) CYP17A1CYP19A1PRKCASCN1ASCN2A
SCHEMBL16731574 0.79 MEN1 (0.44) CYP17A1CYP19A1MAPTGAALMNA

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-9428483-B2 Prodrug of fluorine-containing amino acid TAISHO PHARMACEUTICAL CO., LTD. (JP) 2016-08-30 US disclosed
US-20150141669-A1 PRODRUG OF FLUORINE-CONTAINING AMINO ACID TAISHO PHARMACEUTICAL CO., LTD. (JP) 2015-05-21 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-20150141669-A1 PRODRUG OF FLUORINE-CONTAINING AMINO ACID SLC1A2, SLC1A1, SLC1A3 CYP17A1 2604/4885CYP19A1 1910/4885PRKCA 2393/4885

“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.