SCHEMBL78876

SCHEMBL78876

O=C(NC(CO)(CCc1ccc(OCCCCC2CCCCC2)c(C(F)(F)F)c1)CO[PH](=O)C(Cc1ccccc1)c1ccccc1)OCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.39
ITGA2B P08514 8/20 0.39
ITGAV P06756 1/20 0.39
PPARG P37231 3/20 0.36
S1PR1 P21453 2/20 0.34
HPGD P15428 1/20 0.32
ALOX5 P09917 1/20 0.32
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
PRSS3 P35030 1/20 0.32
TPSAB1 Q15661 1/20 0.32
NAAA Q02083 1/20 0.32
C5AR1 P21730 1/20 0.32
CASP1 P29466 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
SCHEMBL2463695 0.90 S1PR1 (0.46) ITGB3ITGA2BPPARGS1PR1ALOX5
SCHEMBL17733495 0.86 ITGB3 (0.43) ITGB3ITGA2BITGAVPPARGS1PR1
SCHEMBL79822 0.85 S1PR1 (0.35) S1PR1
SCHEMBL86580 0.83 ITGB3 (0.40) ITGB3ITGA2BITGAVPPARGS1PR1
SCHEMBL78875 0.83 ITGB3 (0.40) ITGB3ITGA2BITGAVPPARGS1PR1
SCHEMBL80550 0.81 PPARG (0.36) ITGB3ITGA2BITGAVPPARGS1PR1
SCHEMBL81201 0.80 S1PR1 (0.33) ITGB3ITGA2BPPARGS1PR1
SCHEMBL80081 0.76 AAK1 (0.35) ITGB3ITGA2BPPARGS1PR1
SCHEMBL80501 0.75 S1PR1 (0.47) PPARGS1PR1HPGDALOX5NAAA
SCHEMBL2466970 0.75 S1PR1 (0.59) ITGB3ITGA2BPPARGS1PR1ALOX5

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 ITGB3 4646/4885ITGA2B 4585/4885ITGAV 4235/4885

“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.