SCHEMBL4331702

SCHEMBL4331702

C[C@@](N)(CCc1ccc(Sc2cccc(C(F)(F)F)c2)cc1Cl)CO[PH](=O)OC[C@](C)(N)CCc1ccc(Sc2cccc(C(F)(F)F)c2)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.41
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 1/20 0.36
HPGD P15428 2/20 0.34
LMNA P02545 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MEN1 O00255 1/20 0.34
S1PR2 O95136 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
ALOX12 P18054 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TLR9 Q9NR96 1/20 0.34
SIRT2 Q8IXJ6 1/20 0.34
KDM4E B2RXH2 2/20 0.33
XBP1 P17861 1/20 0.33
MAPT P10636 1/20 0.32

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
SCHEMBL4329191 0.95 S1PR1 (0.39) S1PR1SLC6A2SLC6A4SLC6A3HPGD
SCHEMBL4421908 0.85 S1PR1 (0.43) S1PR1HTR2CHTR6
SCHEMBL11888760 0.85 S1PR1 (0.56) S1PR1SLC6A2SLC6A4SLC6A3SIRT2
SCHEMBL11888761 0.85 S1PR1 (0.56) S1PR1SLC6A2SLC6A4SLC6A3SIRT2
SCHEMBL4339107 0.84 SLC6A2 (0.36) S1PR1SLC6A2SLC6A4SLC6A3HPGD
SCHEMBL4333913 0.84 S1PR1 (0.39) S1PR1SLC6A2SLC6A4SLC6A3HPGD
SCHEMBL3303734 0.83 S1PR1 (0.45) S1PR1SLC6A2SLC6A4SLC6A3HPGD
SCHEMBL3303726 0.83 S1PR1 (0.45) S1PR1SLC6A2SLC6A4SLC6A3HPGD
SCHEMBL4340940 0.83 TLR8 (0.38) S1PR1SLC6A4L3MBTL1ALDH1A1POLB
SCHEMBL11888782 0.83 S1PR1 (0.41) S1PR1SLC6A2SLC6A4SLC6A3POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
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 S1PR1 1/4885SLC6A2 1692/4885SLC6A4 939/4885

“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.