SCHEMBL4336660

SCHEMBL4336660

COP(=O)(OC)OC[C@@](C)(CCCc1ccc(Sc2cccc(C(F)(F)F)c2)cc1F)NC(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.34
SIRT2 Q8IXJ6 1/20 0.33
ALDH1A1 P00352 2/20 0.32
S1PR1 P21453 2/20 0.32
AAK1 Q2M2I8 2/20 0.31
HPGD P15428 2/20 0.31
KDM4E B2RXH2 1/20 0.31
XBP1 P17861 1/20 0.31
GAA P10253 3/20 0.31
NPSR1 Q6W5P4 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
ANO1 Q5XXA6 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
ATM Q13315 1/20 0.31
POLB P06746 2/20 0.30
LMNA P02545 2/20 0.30

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
SCHEMBL4416807 1.00 RXFP1 (0.34) RXFP1SIRT2ALDH1A1S1PR1AAK1
SCHEMBL4331691 0.92 S1PR1 (0.36) RXFP1SIRT2ALDH1A1S1PR1AAK1
SCHEMBL4331685 0.92 S1PR1 (0.36) RXFP1SIRT2ALDH1A1S1PR1AAK1
SCHEMBL3298164 0.88 SIRT2 (0.37) RXFP1SIRT2ALDH1A1AAK1HPGD
SCHEMBL3298161 0.88 SIRT2 (0.37) RXFP1SIRT2ALDH1A1AAK1HPGD
SCHEMBL4418757 0.87 S1PR1 (0.39) RXFP1SIRT2ALDH1A1S1PR1AAK1
SCHEMBL4418760 0.87 S1PR1 (0.39) RXFP1SIRT2ALDH1A1S1PR1AAK1
SCHEMBL14015277 0.82 S1PR1 (0.37) RXFP1SIRT2ALDH1A1S1PR1HPGD
SCHEMBL3583252 0.82 SIRT2 (0.37) RXFP1SIRT2ALDH1A1HPGDKDM4E
SCHEMBL3583255 0.82 SIRT2 (0.37) RXFP1SIRT2ALDH1A1HPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2058317-B1 AMINOPHOSPHORIC ACID ESTER DERIVATIVE AND S1P RECEPTOR MODULATOR CONTAINING THE SAME AS ACTIVE INGREDIENT KYORIN SEIYAKU KK (JP) 2013-10-16 EP disclosed
US-8232319-B2 Amino phosphate derivative and S1P receptor modulator having same as an active ingredient KYORIN PHARMACEUTICAL CO., LTD. (JP) 2012-07-31 US disclosed
US-8232319-B2 Amino phosphate derivative and S1P receptor modulator having same as an active ingredient KYORIN PHARMACEUTICAL CO., LTD. (JP) 2012-07-31 US disclosed
US-20090325907-A1 AMINO PHOSPHATE DERIVATIVE AND S1P RECEPTOR MODULATOR HAVING SAME AS AN ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2009-12-31 US disclosed
US-20090325907-A1 AMINO PHOSPHATE DERIVATIVE AND S1P RECEPTOR MODULATOR HAVING SAME AS AN ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2009-12-31 US disclosed
EP-2058317-A1 AMINOPHOSPHORIC ACID ESTER DERIVATIVE AND S1P RECEPTOR MODULATOR CONTAINING THE SAME AS ACTIVE INGREDIENT Kyorin Pharmaceutical Co., Ltd. (JP) 2009-05-13 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 (1 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-20090325907-A1 AMINO PHOSPHATE DERIVATIVE AND S1P RECEPTOR MODULATOR HAVING SAME AS AN ACTIVE INGREDIENT S1PR1, S1PR2, S1PR5 RXFP1 393/4885SIRT2 2716/4885ALDH1A1 3343/4885

“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.