SCHEMBL4420317

SCHEMBL4420317

CCc1cccc(Sc2ccc(CCCC(C)(COP(=O)(OC)OC)NC(=O)OC(C)(C)C)c(Cl)c2)c1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.38
AAK1 Q2M2I8 5/20 0.32
TAS1R3 Q7RTX0 1/20 0.30
TAS1R1 Q7RTX1 1/20 0.30
TAS1R2 Q8TE23 1/20 0.30
IDO1 P14902 1/20 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
SCHEMBL4333946 1.00 S1PR1 (0.38) S1PR1AAK1TAS1R3TAS1R1TAS1R2
SCHEMBL4415194 0.95 S1PR1 (0.41) S1PR1AAK1TAS1R3TAS1R1TAS1R2
SCHEMBL4339891 0.95 S1PR1 (0.41) S1PR1AAK1TAS1R3TAS1R1TAS1R2
SCHEMBL4340431 0.91 S1PR1 (0.38) S1PR1AAK1IDO1
SCHEMBL4340436 0.91 S1PR1 (0.38) S1PR1AAK1IDO1
SCHEMBL11949084 0.91 S1PR1 (0.38) S1PR1AAK1
SCHEMBL4331691 0.88 S1PR1 (0.36) S1PR1AAK1TAS1R3TAS1R1TAS1R2
SCHEMBL4331685 0.88 S1PR1 (0.36) S1PR1AAK1TAS1R3TAS1R1TAS1R2
SCHEMBL1563551 0.88 S1PR1 (0.54) S1PR1AAK1
SCHEMBL4416683 0.88 S1PR1 (0.36) S1PR1AAK1

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
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-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

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 1/4885AAK1 427/4885TAS1R3 1468/4885

“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.