SCHEMBL80550

SCHEMBL80550

CCC(CCc1ccc(OCCCc2ccc(OC(F)(F)F)cc2)c(C(F)(F)F)c1)(CO[PH](=O)C(Cc1ccccc1)c1ccccc1)NC(=O)OCc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.36
PPARD Q03181 3/20 0.36
PPARA Q07869 3/20 0.36
S1PR1 P21453 2/20 0.34
S1PR4 O95977 1/20 0.34
S1PR3 Q99500 1/20 0.34
S1PR5 Q9H228 1/20 0.34
ITGB3 P05106 3/20 0.32
ITGA2B P08514 3/20 0.32
MTNR1B P49286 1/20 0.32
MMP12 P39900 1/20 0.32
MAPT P10636 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
P2RX7 Q99572 1/20 0.32
CTSD P07339 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 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
SCHEMBL81201 0.95 S1PR1 (0.33) PPARGPPARDPPARAS1PR1S1PR4
SCHEMBL80081 0.86 AAK1 (0.35) PPARGPPARDPPARAS1PR1S1PR4
SCHEMBL2463695 0.86 S1PR1 (0.46) PPARGPPARDPPARAS1PR1S1PR4
SCHEMBL79822 0.84 S1PR1 (0.35) S1PR1S1PR4S1PR3S1PR5
SCHEMBL86555 0.83 S1PR1 (0.40) PPARGPPARDPPARAS1PR1S1PR4
SCHEMBL80549 0.83 PPARD (0.40) PPARGPPARDPPARAS1PR1S1PR4
SCHEMBL80548 0.83 PPARD (0.40) PPARGPPARDPPARAS1PR1S1PR4
SCHEMBL78876 0.81 ITGB3 (0.39) PPARGS1PR1ITGB3ITGA2BHPGD
SCHEMBL86358 0.79 S1PR1 (0.38) PPARGPPARDPPARAS1PR1S1PR4
SCHEMBL86729 0.79 S1PR1 (0.38) PPARGPPARDPPARAS1PR1S1PR4

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 PPARG 1030/4885PPARD 1369/4885PPARA 601/4885

“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.