SCHEMBL3574671

SCHEMBL3574671

CC(C)(C)OC(=O)NC(C)(CCCc1ccc(Oc2cccc(C(F)(F)F)c2)cc1Cl)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
PPARD Q03181 6/20 0.40
PPARA Q07869 6/20 0.40
PPARG P37231 5/20 0.40
HTR2A P28223 1/20 0.38
SLC6A4 P31645 1/20 0.38
KCNH2 Q12809 1/20 0.38
RXRA P19793 2/20 0.37
NR1H2 P55055 2/20 0.37
PIM1 P11309 1/20 0.37
PDGFRA P16234 1/20 0.37
S1PR1 P21453 1/20 0.37
S1PR5 Q9H228 1/20 0.37
NR1H3 Q13133 1/20 0.37
MAPK14 Q16539 1/20 0.37
FAAH O00519 1/20 0.36
GHSR Q92847 1/20 0.36
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36

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
SCHEMBL3574667 1.00 TLR8 (0.40) TLR8TLR7PPARDPPARAPPARG
SCHEMBL15310564 0.90 TLR8 (0.38) TLR8TLR7PPARDPPARAPPARG
SCHEMBL3299440 0.90 TLR8 (0.38) TLR8TLR7PPARDPPARAPPARG
SCHEMBL3299897 0.88 TLR8 (0.41) TLR8TLR7PPARDPPARAPPARG
SCHEMBL3299890 0.88 TLR8 (0.41) TLR8TLR7PPARDPPARAPPARG
SCHEMBL3308747 0.84 TLR8 (0.42) TLR8TLR7PPARDPPARAPPARG
SCHEMBL3308752 0.84 TLR8 (0.42) TLR8TLR7PPARDPPARAPPARG
SCHEMBL4340411 0.82 TLR8 (0.38) TLR8TLR7PPARDPPARAPPARG
SCHEMBL4424184 0.82 TLR8 (0.38) TLR8TLR7PPARDPPARAPPARG
SCHEMBL3299450 0.81 TLR8 (0.40) TLR8TLR7PPARDPPARAPPARG

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273748-B2 Amino alcohol derivative and immunosuppresive agent having same as an active ingredient KYORIN PHARMACEUTICAL CO., LTD. (JP) 2012-09-25 US disclosed
US-8232319-B2 Amino phosphate derivative and S1P receptor modulator having same as an active ingredient KYORIN PHARMACEUTICAL CO., LTD. (JP) 2012-07-31 US disclosed
US-20100010000-A1 AMINO ALCOHOL DERIVATIVE AND IMMUNOSUPPRESIVE AGENT HAVING SAME AS AN ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2010-01-14 US disclosed
US-20090325907-A1 AMINO PHOSPHATE DERIVATIVE AND S1P RECEPTOR MODULATOR HAVING SAME AS AN ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2009-12-31 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 (2 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-20090325907-A1 AMINO PHOSPHATE DERIVATIVE AND S1P RECEPTOR MODULATOR HAVING SAME AS AN ACTIVE INGREDIENT S1PR1, S1PR2, S1PR5 TLR8 2323/4885TLR7 2381/4885PPARD 1561/4885
US-20100010000-A1 AMINO ALCOHOL DERIVATIVE AND IMMUNOSUPPRESIVE AGENT HAVING SAME AS AN ACTIVE INGREDIENT ALDH7A1, AADAT, IDO1 TLR8 2213/4885TLR7 2492/4885PPARD 3015/4885

“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.