SCHEMBL2469798

SCHEMBL2469798

CCC(C)OC(=O)C(CCc1ccc(OC)c(C(F)(F)F)c1)(NC(C)=O)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.37
PPARA Q07869 11/20 0.36
PPARD Q03181 8/20 0.36
PPARG P37231 3/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
S1PR5 Q9H228 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
SCHEMBL2470710 0.87 HPGD (0.40) HDAC1HDAC2
SCHEMBL2463691 0.83 PPARD (0.37) PPARAPPARDPPARG
SCHEMBL5369783 0.83 ALDH1A1 (0.38) PPARAPPARDPPARG
SCHEMBL2469794 0.81 PKM (0.47) S1PR1RXRARXRBRXRGS1PR5
SCHEMBL16140751 0.78 S1PR1 (0.44) S1PR1PPARAPPARDPPARGRXRA
SCHEMBL16013113 0.77 S1PR1 (0.42) S1PR1S1PR5
SCHEMBL5365525 0.77 ALDH1A1 (0.39)
SCHEMBL5366585 0.75 ALDH1A1 (0.42) PPARAPPARGHDAC1HDAC2
SCHEMBL5363745 0.75 ACACB (0.42)
SCHEMBL79439 0.74 S1PR1 (0.47) S1PR1PPARAPPARDS1PR5

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140296183-A1 AMINE COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES MITSUBISHI TANABE PHARMA CORP (JP) 2014-10-02 US disclosed
US-8809304-B2 Amine compound and use thereof for medical purposes MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-08-19 US disclosed
EP-1961734-B1 AMINE COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES MITSUBISHI TANABE PHARMA CORP (JP) 2011-09-14 EP disclosed
US-20090137530-A1 Amine Compound and Use Thereof for Medical Purposes MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-05-28 US disclosed
EP-1961734-A1 AMINE COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES Mitsubishi Tanabe Pharma Corporation (JP) 2008-08-27 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 (2 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-20090137530-A1 Amine Compound and Use Thereof for Medical Purposes HRH3, HRH2, HRH4 S1PR1 370/4885PPARA 1758/4885PPARD 2834/4885
US-20140296183-A1 AMINE COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES HRH3, HRH2, HRH4 S1PR1 370/4885PPARA 1758/4885PPARD 2834/4885

“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.