SCHEMBL2874304

SCHEMBL2874304

CC(O)CCc1cc(F)cc(F)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.44
IDO1 P14902 2/20 0.35
DAO P14920 2/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA9 Q16790 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
KCNH2 Q12809 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
ADRB1 P08588 1/20 0.31

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
SCHEMBL13886438 0.82 IDO1 (0.38) IDO1DAOKCNH2TMEM97SIGMAR1
SCHEMBL10586411 0.80 TAAR1 (0.53) TYRIDO1DAO
SCHEMBL10585900 0.78 TYR (0.48) TYRPTGS1PTGS2KCNH2TMEM97
SCHEMBL29027767 0.77 OPRM1 (0.37) TYR
SCHEMBL9071082 0.77 IDO1 (0.38) IDO1CA12CA1CA9CES2
SCHEMBL4413267 0.77 IDO1 (0.38) IDO1CA12CA1CA9CES2
SCHEMBL5727781 0.77 IDO1 (0.38) IDO1CA12CA1CA9CES2
SCHEMBL27974106 0.76 TYR (0.41) TYRHRH3
SCHEMBL24973693 0.75 IDO1 (0.33) IDO1DAOKCNH2TMEM97SIGMAR1
SCHEMBL12975966 0.75 ADRA2A (0.41) KCNH2

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-7858642-B2 Substituted hydroxyethylamine aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. (US) 2010-12-28 US disclosed
US-20090270367-A1 SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. 2009-10-29 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-20090270367-A1 SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS DNPEP, MME, ANPEP TYR 1945/4885IDO1 2119/4885DAO 104/4885

“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.