SCHEMBL2741064

SCHEMBL2741064

CC(C)(C)OC(=O)N1[C@H](C(OCc2ccccc2)C(F)(F)F)COC1(C)C

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 2/20 0.39
SPHK1 Q9NYA1 1/20 0.38
GPR119 Q8TDV5 1/20 0.37
OGA O60502 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HTR2C P28335 1/20 0.35
BRD4 O60885 1/20 0.35
TACR1 P25103 1/20 0.35
GAA P10253 1/20 0.35
THRB P10828 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KLK5 Q9Y337 1/20 0.35
PDK1 Q15118 1/20 0.35
PDK2 Q15119 1/20 0.35
PDK3 Q15120 1/20 0.35
PDK4 Q16654 1/20 0.35
CTSL P07711 1/20 0.35

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
SCHEMBL223309 1.00 KLK7 (0.39) KLK7SPHK1GPR119OGAMEN1
SCHEMBL223310 1.00 KLK7 (0.39) KLK7SPHK1GPR119OGAMEN1
SCHEMBL28520961 0.83 YAP1 (0.39) KLK7SPHK1GPR119MEN1KMT2A
SCHEMBL28643591 0.83 KLK7 (0.38) KLK7SPHK1GPR119MEN1KMT2A
SCHEMBL28643588 0.83 KLK7 (0.38) KLK7SPHK1GPR119MEN1KMT2A
SCHEMBL30302061 0.83 KLK7 (0.38) KLK7SPHK1GPR119MEN1KMT2A
SCHEMBL28649158 0.82 KLK7 (0.38) KLK7SPHK1GPR119MEN1KMT2A
SCHEMBL28649160 0.82 KLK7 (0.38) KLK7SPHK1GPR119MEN1KMT2A
SCHEMBL28649161 0.82 KLK7 (0.38) KLK7SPHK1GPR119MEN1KMT2A
SCHEMBL30302056 0.82 KLK7 (0.37) KLK7SPHK1GPR119MEN1KMT2A

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-8642632-B2 Selective androgen receptor modulators RADIUS HEALTH, INC. (US) 2014-02-04 US disclosed
US-20120004270-A1 Selective Androgen Receptor Modulators RADIUS HEALTH, INC. (US) 2012-01-05 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-20120004270-A1 Selective Androgen Receptor Modulators AR, NR3C2, NR5A1 KLK7 2478/4885SPHK1 2624/4885GPR119 4/4885

“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.