SCHEMBL81403

SCHEMBL81403

CC(C)(C)OC(=O)NC(CO)(CO)CCc1ccc(OCCCCCc2ccccc2)c(C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 4/20 0.51
PPARG P37231 2/20 0.41
PPARD Q03181 2/20 0.41
PPARA Q07869 2/20 0.41
S1PR4 O95977 1/20 0.39
S1PR3 Q99500 1/20 0.39
S1PR5 Q9H228 1/20 0.39
PDE4A P27815 3/20 0.37
PDE4B Q07343 3/20 0.37
PDE4C Q08493 3/20 0.37
PDE4D Q08499 3/20 0.37
MTNR1B P49286 1/20 0.37
AAK1 Q2M2I8 5/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
FFAR1 O14842 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
RXRA P19793 1/20 0.35
NR1H2 P55055 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
SCHEMBL80472 0.99 S1PR1 (0.49) S1PR1PPARGPPARDPPARAS1PR4
SCHEMBL13664785 0.90 S1PR1 (0.64) S1PR1PPARGPPARDPPARAS1PR4
SCHEMBL2464915 0.90 S1PR1 (0.64) S1PR1PPARGPPARDPPARAS1PR4
SCHEMBL4153787 0.86 S1PR1 (0.62) S1PR1PPARGPPARDPPARAS1PR4
SCHEMBL81217 0.85 S1PR1 (0.43) S1PR1PPARGPPARDPPARAAAK1
SCHEMBL13665155 0.85 S1PR1 (0.60) S1PR1PPARGPPARDPPARAS1PR4
SCHEMBL80501 0.84 S1PR1 (0.47) S1PR1PPARGPPARDPPARAAAK1
SCHEMBL2466970 0.84 S1PR1 (0.59) S1PR1PPARGPPARDPPARAMRGPRX4
SCHEMBL4819856 0.82 MTNR1A (0.47) PDE4APDE4BPDE4CPDE4DMTNR1B
SCHEMBL2463699 0.81 S1PR1 (0.65) S1PR1S1PR4S1PR3S1PR5AAK1

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 8 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-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US 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
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 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 511/4885PPARG 1030/4885PPARD 1369/4885

“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.