SCHEMBL2469802

SCHEMBL2469802

CCCCCCCOc1ccc(CCC(CCOC2CCCCO2)(COCOC)NC(=O)OC(C)(C)C)cc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.44
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
SPHK2 Q9NRA0 3/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
S1PR4 O95977 2/20 0.33
S1PR5 Q9H228 2/20 0.33
PPARG P37231 2/20 0.32
AAK1 Q2M2I8 2/20 0.32
CNR2 P34972 4/20 0.31
FAAH O00519 2/20 0.31
CREBBP Q92793 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
SCHEMBL10281335 0.98 S1PR1 (0.41) S1PR1THRATHRBSPHK2MEN1
SCHEMBL81798 0.90 KLK7 (0.34) S1PR1S1PR4S1PR5CNR2CREBBP
SCHEMBL81833 0.89 MEN1 (0.31) MEN1KMT2A
SCHEMBL13851953 0.87 S1PR1 (0.52) S1PR1THRATHRBS1PR4S1PR5
SCHEMBL12337608 0.84 S1PR1 (0.55) S1PR1THRATHRBSPHK2MEN1
SCHEMBL2469156 0.82 S1PR1 (0.53) S1PR1THRATHRBS1PR4S1PR5
SCHEMBL13665155 0.79 S1PR1 (0.60) S1PR1THRATHRBS1PR4S1PR5
SCHEMBL13664785 0.78 S1PR1 (0.64) S1PR1THRATHRBS1PR4S1PR5
SCHEMBL2464915 0.78 S1PR1 (0.64) S1PR1THRATHRBS1PR4S1PR5
SCHEMBL79819 0.78 S1PR1 (0.40) S1PR1KMT2AS1PR4S1PR5PPARG

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 11 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-20140296183-A1 AMINE COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES MITSUBISHI TANABE PHARMA CORP (JP) 2014-10-02 US disclosed
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
US-8809304-B2 Amine compound and use thereof for medical purposes MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-08-19 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
US-20090137530-A1 Amine Compound and Use Thereof for Medical Purposes MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-05-28 US 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 370/4885THRA 705/4885THRB 536/4885
US-20140296183-A1 AMINE COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES HRH3, HRH2, HRH4 S1PR1 370/4885THRA 705/4885THRB 536/4885

“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.