SCHEMBL80694

SCHEMBL80694

CCN(CC)C(=O)CC(CCc1ccc(OC)c(C(F)(F)F)c1)(C(=O)O)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.44
RXRA P19793 2/20 0.42
RXRB P28702 2/20 0.42
RXRG P48443 2/20 0.42
S1PR1 P21453 3/20 0.40
S1PR5 Q9H228 1/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MITF O75030 1/20 0.40
HTT P42858 1/20 0.40
PTGDR2 Q9Y5Y4 4/20 0.39
TBXA2R P21731 1/20 0.39
PTGDR Q13258 1/20 0.39
PPARA Q07869 3/20 0.37
PPARG P37231 2/20 0.37
PPARD Q03181 2/20 0.37
PDE4B Q07343 1/20 0.37

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
SCHEMBL80164 0.81 THRA (0.41) APPRXRARXRBRXRGALDH1A1
SCHEMBL80695 0.77 S1PR1 (0.42) RXRARXRBRXRGS1PR1S1PR5
SCHEMBL589871 0.74 MEN1 (0.39) ALDH1A1KDM4E
SCHEMBL86406 0.74 S1PR1 (0.43) RXRARXRBRXRGS1PR1S1PR5
SCHEMBL3493151 0.73 S1PR1 (0.59) RXRARXRBRXRGS1PR1S1PR5
SCHEMBL16140751 0.73 S1PR1 (0.44) RXRARXRBRXRGS1PR1S1PR5
SCHEMBL13461833 0.71 CTSS (0.49) S1PR1ALDH1A1KDM4E
SCHEMBL2127169 0.70 GAA (0.62) RXRARXRBRXRGALDH1A1PTGDR2
SCHEMBL86294 0.70 S1PR1 (0.50) S1PR1S1PR5KDM4E
SCHEMBL2469794 0.70 PKM (0.47) RXRARXRBRXRGS1PR1S1PR5

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 APP 3225/4885RXRA 2753/4885RXRB 2681/4885

“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.