SCHEMBL2462480

SCHEMBL2462480

CCCCCCCCSc1ccc(CCC(CO)(CO)NC(=O)OC(C)(C)C)cc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.44
PTGS2 P35354 3/20 0.35
CNR2 P34972 2/20 0.35
AGTR1 P30556 1/20 0.33
AGTR2 P50052 1/20 0.33
S1PR3 Q99500 3/20 0.33
LMNA P02545 2/20 0.33
S1PR4 O95977 2/20 0.33
MEN1 O00255 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
S1PR2 O95136 1/20 0.33
NSD2 O96028 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ATM Q13315 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C8 P10632 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2B6 P20813 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
SCHEMBL2468717 1.00 S1PR1 (0.44) S1PR1PTGS2CNR2AGTR1AGTR2
SCHEMBL13851961 0.91 S1PR1 (0.39) S1PR1PTGS2CNR2AGTR1AGTR2
SCHEMBL2464915 0.84 S1PR1 (0.64) S1PR1S1PR3S1PR4S1PR5
SCHEMBL13664785 0.84 S1PR1 (0.64) S1PR1S1PR3S1PR4S1PR5
SCHEMBL2465187 0.83 S1PR1 (0.33) S1PR1CNR2AGTR1AGTR2
SCHEMBL13851963 0.82 S1PR1 (0.33) S1PR1CNR2
SCHEMBL16140757 0.82 S1PR1 (0.33) S1PR1
SCHEMBL4153787 0.81 S1PR1 (0.62) S1PR1S1PR3S1PR4S1PR5
SCHEMBL13665155 0.79 S1PR1 (0.60) S1PR1CNR2S1PR4S1PR5
SCHEMBL79269 0.79 APP (0.40) S1PR1LMNA

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 370/4885PTGS2 1869/4885CNR2 17/4885
US-20140296183-A1 AMINE COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES HRH3, HRH2, HRH4 S1PR1 370/4885PTGS2 1869/4885CNR2 17/4885

“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.