SCHEMBL2463375

SCHEMBL2463375

CCCCCCCCOc1ccc(CCC(N)(CO)CO[PH2]=O)cc1C(F)(F)F

nearest known ligand 0.79

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 13/20 0.79
SPHK2 Q9NRA0 2/20 0.47
SPHK1 Q9NYA1 1/20 0.47
S1PR3 Q99500 7/20 0.47
S1PR4 O95977 5/20 0.46
S1PR5 Q9H228 5/20 0.46
S1PR2 O95136 3/20 0.46
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46
TNNC1 P63316 5/20 0.45
SGPL1 O95470 1/20 0.45
GPR183 P32249 1/20 0.45
CERS2 Q96G23 1/20 0.45

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
SCHEMBL2467514 1.00 S1PR1 (0.79) S1PR1SPHK2SPHK1S1PR3S1PR4
SCHEMBL2463682 1.00 S1PR1 (0.79) S1PR1SPHK2SPHK1S1PR3S1PR4
SCHEMBL79957 0.90 S1PR1 (0.63) S1PR1SPHK2SPHK1S1PR3S1PR4
Amiselimod SCHEMBL2463680 0.89 S1PR1 (1.00) S1PR1SPHK2SPHK1S1PR3S1PR4
Amiselimod SCHEMBL29691985 0.89 S1PR1 (1.00) S1PR1SPHK2SPHK1S1PR3S1PR4
SCHEMBL12336974 0.89 S1PR1 (1.00) S1PR1SPHK2SPHK1S1PR3S1PR4
SCHEMBL2468253 0.89 S1PR1 (1.00) S1PR1SPHK2SPHK1S1PR3S1PR4
SCHEMBL80895 0.89 S1PR1 (0.62) S1PR1SPHK2SPHK1S1PR3S1PR4
SCHEMBL81335 0.89 S1PR1 (0.61) S1PR1SPHK2SPHK1S1PR3S1PR4
Hydrochloric Acid SCHEMBL2462139 0.88 S1PR1 (0.98) S1PR1SPHK2SPHK1S1PR3S1PR4

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 370/4885SPHK2 1210/4885SPHK1 1718/4885
US-20140296183-A1 AMINE COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES HRH3, HRH2, HRH4 S1PR1 370/4885SPHK2 1210/4885SPHK1 1718/4885

“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.