SCHEMBL4339103

SCHEMBL4339103

C[C@@](N)(CCCc1ccc(Sc2cccc(C(F)(F)F)c2)cc1F)CP(=O)(O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.37
ACP3 P15309 1/20 0.37
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
S1PR3 Q99500 1/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
XBP1 P17861 1/20 0.34
GAA P10253 3/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL4339109 1.00 S1PR1 (0.37) S1PR1ACP3SLC6A2SLC6A4SLC6A3
SCHEMBL4329192 0.89 S1PR1 (0.43) S1PR1ACP3SLC6A2SLC6A4SLC6A3
SCHEMBL4329187 0.89 S1PR1 (0.43) S1PR1ACP3SLC6A2SLC6A4SLC6A3
SCHEMBL11949089 0.87 S1PR1 (0.47) S1PR1SLC6A2SLC6A4SLC6A3SIRT2
SCHEMBL15310563 0.87 S1PR1 (0.47) S1PR1SLC6A2SLC6A4SLC6A3SIRT2
SCHEMBL3300524 0.86 SLC6A2 (0.40) S1PR1SLC6A2SLC6A4SLC6A3SIRT2
SCHEMBL3300531 0.86 SLC6A2 (0.40) S1PR1SLC6A2SLC6A4SLC6A3SIRT2
Hydrochloric Acid SCHEMBL3300487 0.85 SLC6A2 (0.39) S1PR1SLC6A2SLC6A4SLC6A3SIRT2
Hydrochloric Acid SCHEMBL3300492 0.85 SLC6A2 (0.39) S1PR1SLC6A2SLC6A4SLC6A3SIRT2
SCHEMBL4331697 0.84 S1PR1 (0.46) S1PR1ACP3SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 1/4885ACP3 1238/4885SLC6A2 1692/4885

“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.