SCHEMBL2466976

SCHEMBL2466976

CCCCCCCOc1ccc(CCC(CCF)(COP(=O)(C(C)(C)C)C(C)(C)C)NC(=O)OC(C)(C)C)cc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 12/20 0.49
S1PR4 O95977 6/20 0.40
S1PR5 Q9H228 6/20 0.40
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
S1PR3 Q99500 6/20 0.36
AAK1 Q2M2I8 6/20 0.35
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
S1PR2 O95136 1/20 0.33
LPAR2 Q9HBW0 1/20 0.33

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
SCHEMBL2469682 0.94 S1PR1 (0.51) S1PR1S1PR4S1PR5THRATHRB
SCHEMBL13851958 0.91 S1PR1 (0.49) S1PR1S1PR4S1PR5THRATHRB
SCHEMBL2468561 0.89 S1PR1 (0.52) S1PR1S1PR4S1PR5THRATHRB
SCHEMBL2465575 0.89 S1PR1 (0.52) S1PR1S1PR4S1PR5THRATHRB
SCHEMBL2465579 0.89 S1PR1 (0.52) S1PR1S1PR4S1PR5THRATHRB
SCHEMBL81255 0.88 S1PR1 (0.36) S1PR1S1PR4S1PR5S1PR3AAK1
SCHEMBL13664842 0.86 S1PR1 (0.49) S1PR1S1PR4S1PR5THRATHRB
SCHEMBL13851955 0.85 S1PR1 (0.50) S1PR1S1PR4S1PR5THRATHRB
SCHEMBL80632 0.85 S1PR1 (0.40) S1PR1S1PR4S1PR5S1PR3AAK1
SCHEMBL79403 0.85 S1PR1 (0.40) S1PR1S1PR4S1PR5S1PR3AAK1

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 370/4885S1PR4 451/4885S1PR5 463/4885
US-20140296183-A1 AMINE COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES HRH3, HRH2, HRH4 S1PR1 370/4885S1PR4 451/4885S1PR5 463/4885

“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.