SCHEMBL1844608

SCHEMBL1844608

COC(=O)[C@]12C[C@@H]3C[C@H](C1)C(NC(=O)OCc1ccccc1)[C@@H](C3)C2

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CPB1 P15086 2/20 0.49
HSD11B1 P28845 4/20 0.47
HSD11B2 P80365 3/20 0.47
CYP17A1 P05093 2/20 0.45
CYP19A1 P11511 2/20 0.45
RECQL P46063 1/20 0.45
EPHX2 P34913 2/20 0.45
ALDH1A1 P00352 2/20 0.44
GAA P10253 1/20 0.44
CYP3A4 P08684 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL2837021 1.00 CPB1 (0.49) CPB1HSD11B1HSD11B2CYP17A1CYP19A1
SCHEMBL12578289 1.00 CPB1 (0.49) CPB1HSD11B1HSD11B2CYP17A1CYP19A1
SCHEMBL2169834 0.91 CYP17A1 (0.45) CPB1HSD11B1HSD11B2CYP17A1CYP19A1
SCHEMBL2825063 0.90 HSD11B1 (0.56) CPB1HSD11B1HSD11B2EPHX2ALDH1A1
SCHEMBL1845687 0.90 HSD11B1 (0.56) CPB1HSD11B1HSD11B2EPHX2ALDH1A1
SCHEMBL1846642 0.90 HSD11B1 (0.56) CPB1HSD11B1HSD11B2EPHX2ALDH1A1
SCHEMBL1846641 0.90 HSD11B1 (0.56) CPB1HSD11B1HSD11B2EPHX2ALDH1A1
SCHEMBL12578487 0.90 HSD11B1 (0.56) CPB1HSD11B1HSD11B2EPHX2ALDH1A1
SCHEMBL1844036 0.87 HSD11B1 (0.57) CPB1HSD11B1HSD11B2EPHX2
SCHEMBL1044166 0.87 HSD11B1 (0.57) CPB1HSD11B1HSD11B2EPHX2

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-20110159019-A1 2,4-DIAMINOPYRIMIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-06-30 US disclosed
EP-2325175-A1 2,4-DIAMINOPYRIMIDINE COMPOUND Astellas Pharma Inc. (JP) 2011-05-25 EP 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-20110159019-A1 2,4-DIAMINOPYRIMIDINE COMPOUND PRKCZ, DCLK1, AAK1 CPB1 1339/4885HSD11B1 2713/4885HSD11B2 2516/4885

“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.