SCHEMBL1846641

SCHEMBL1846641

O=C(NC1[C@@H]2C[C@@H]3C[C@H]1CC(C(=O)O)(C3)C2)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 6/20 0.56
HSD11B2 P80365 5/20 0.56
ALDH1A1 P00352 1/20 0.50
GAA P10253 1/20 0.50
TSHR P16473 1/20 0.48
EPHX2 P34913 3/20 0.47
CPB1 P15086 2/20 0.46
EPHX1 P07099 1/20 0.45
HPGD P15428 1/20 0.44
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
CTSK P43235 1/20 0.44

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
SCHEMBL12578487 1.00 HSD11B1 (0.56) HSD11B1HSD11B2ALDH1A1GAATSHR
SCHEMBL1846642 1.00 HSD11B1 (0.56) HSD11B1HSD11B2ALDH1A1GAATSHR
SCHEMBL1845687 1.00 HSD11B1 (0.56) HSD11B1HSD11B2ALDH1A1GAATSHR
SCHEMBL2825063 1.00 HSD11B1 (0.56) HSD11B1HSD11B2ALDH1A1GAATSHR
SCHEMBL2839601 0.95 HSD11B1 (0.52) HSD11B1HSD11B2ALDH1A1GAATSHR
SCHEMBL1844036 0.91 HSD11B1 (0.57) HSD11B1HSD11B2TSHREPHX2CPB1
SCHEMBL1844038 0.91 HSD11B1 (0.57) HSD11B1HSD11B2TSHREPHX2CPB1
SCHEMBL1844035 0.91 HSD11B1 (0.57) HSD11B1HSD11B2TSHREPHX2CPB1
SCHEMBL1044166 0.91 HSD11B1 (0.57) HSD11B1HSD11B2TSHREPHX2CPB1
SCHEMBL2837021 0.90 CPB1 (0.49) HSD11B1HSD11B2ALDH1A1GAAEPHX2

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 HSD11B1 2713/4885HSD11B2 2516/4885ALDH1A1 1716/4885

“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.