SCHEMBL2741065

SCHEMBL2741065

CC(C)(C)OC(=O)N[C@@H](CO)[C@H](OCc1ccccc1)C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.48
CTSS P25774 4/20 0.46
SYK P43405 1/20 0.46
ATM Q13315 1/20 0.46
KLK5 Q9Y337 2/20 0.44
RAB9A P51151 1/20 0.44
PPARG P37231 2/20 0.44
CTSK P43235 3/20 0.44
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
ACE P12821 1/20 0.42
AKT1 P31749 1/20 0.42
GABRB1 P18505 1/20 0.41
GABRB2 P47870 1/20 0.41

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
SCHEMBL15451277 0.85 CTRB1 (0.39) CTSSCTSLACE
SCHEMBL15451276 0.85 CTRB1 (0.39) CTSSCTSLACE
SCHEMBL223571 0.84 PPARA (0.52) PPARACTSSSYKATMPPARG
SCHEMBL29401143 0.84 PPARA (0.51) PPARACTSSSYKATMKLK5
SCHEMBL2350194 0.84 PPARA (0.51) PPARACTSSSYKATMKLK5
SCHEMBL28594865 0.79 PPARA (0.60) PPARACTSSSYKATMKLK5
SCHEMBL28594867 0.79 PPARA (0.60) PPARACTSSSYKATMKLK5
SCHEMBL4468177 0.78 PPARA (0.52) PPARACTSSSYKATMPPARG
SCHEMBL2447896 0.77 PSMB5 (0.40) PPARACTSSSYKRAB9ACTSL
SCHEMBL3196374 0.77 PPARA (0.61) PPARACTSSSYKATMKLK5

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 PPARA 133/4885CTSS 4795/4885SYK 3776/4885

“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.