SCHEMBL81217

SCHEMBL81217

CC(C)(C)OC(=O)NC(CO)(CO)CCc1ccc(OCCCc2cccc(C#N)c2)c(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.43
MRGPRX4 Q96LA9 3/20 0.42
AAK1 Q2M2I8 2/20 0.40
GAA P10253 1/20 0.38
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
NR3C1 P04150 1/20 0.36
NR3C2 P08235 1/20 0.36
SSTR4 P31391 1/20 0.36
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
LRRK2 Q5S007 1/20 0.34
FFAR1 O14842 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
PTGES O14684 1/20 0.34

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
SCHEMBL80472 0.86 S1PR1 (0.49) S1PR1MRGPRX4AAK1PPARGPPARD
SCHEMBL81403 0.85 S1PR1 (0.51) S1PR1MRGPRX4AAK1PPARGPPARD
SCHEMBL13664785 0.82 S1PR1 (0.64) S1PR1AAK1PPARGPPARDPPARA
SCHEMBL2464915 0.82 S1PR1 (0.64) S1PR1AAK1PPARGPPARDPPARA
SCHEMBL86375 0.80 S1PR1 (0.63) S1PR1MRGPRX4GAACTSSCTSK
Hydrochloric Acid SCHEMBL82014 0.80 S1PR1 (0.62) S1PR1MRGPRX4GAACTSSCTSK
SCHEMBL4153787 0.79 S1PR1 (0.62) S1PR1AAK1PPARGPPARDPPARA
SCHEMBL80501 0.79 S1PR1 (0.47) S1PR1AAK1PPARGPPARDPPARA
SCHEMBL13665155 0.78 S1PR1 (0.60) S1PR1AAK1PPARGPPARDPPARA
SCHEMBL79269 0.76 APP (0.40) S1PR1AAK1

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
EP-2168944-B1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2016-05-11 EP disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 US disclosed
EP-2168944-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2010-03-31 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-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF HLA-B, HLA-A, HLA-C S1PR1 511/4885MRGPRX4 92/4885AAK1 2926/4885

“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.