SCHEMBL4427263

SCHEMBL4427263

CCCc1cccc(Oc2ccc(CCCC(C)(COP(=O)(OC)OC)NC(=O)OC(C)(C)C)c(Cl)c2)c1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.39
FDFT1 P37268 7/20 0.37
MTNR1A P48039 2/20 0.33
MTNR1B P49286 2/20 0.33
CETP P11597 1/20 0.33
ACACB O00763 1/20 0.33
ACACA Q13085 1/20 0.33
S1PR3 Q99500 1/20 0.32
CYP2D6 P10635 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
SCHEMBL4334869 1.00 S1PR1 (0.39) S1PR1FDFT1MTNR1AMTNR1BCETP
SCHEMBL4413467 0.90 S1PR1 (0.36) S1PR1
SCHEMBL4335867 0.90 S1PR1 (0.36) S1PR1
SCHEMBL3300221 0.88 S1PR1 (0.40) S1PR1FDFT1MTNR1AMTNR1B
SCHEMBL3300213 0.88 S1PR1 (0.40) S1PR1FDFT1MTNR1AMTNR1B
SCHEMBL4340411 0.88 TLR8 (0.38) S1PR1
SCHEMBL4424184 0.88 TLR8 (0.38) S1PR1
SCHEMBL4417225 0.83 TLR8 (0.39) S1PR1
SCHEMBL4329147 0.83 TLR8 (0.39) S1PR1
SCHEMBL4420317 0.81 S1PR1 (0.38) S1PR1

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 1/4885FDFT1 2191/4885MTNR1A 569/4885

“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.