SCHEMBL4337587

SCHEMBL4337587

CCC[C@@](CCCc1ccc(Sc2cccc(C(F)(F)F)c2)cc1Cl)(COP(=O)(OC)OC)NC(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.35
PPARG P37231 3/20 0.32
RXFP1 Q9HBX9 1/20 0.32
SIRT2 Q8IXJ6 1/20 0.32
GAA P10253 1/20 0.31
MRGPRX4 Q96LA9 1/20 0.30
GPR52 Q9Y2T5 1/20 0.30
MAPT P10636 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
SCHEMBL4421660 1.00 S1PR1 (0.35) S1PR1PPARGRXFP1SIRT2GAA
SCHEMBL14015277 0.95 S1PR1 (0.37) S1PR1PPARGRXFP1SIRT2GAA
SCHEMBL13259330 0.91 S1PR1 (0.35) S1PR1PPARGRXFP1SIRT2MAPT
SCHEMBL4331685 0.90 S1PR1 (0.36) S1PR1RXFP1SIRT2GAAMRGPRX4
SCHEMBL4331691 0.90 S1PR1 (0.36) S1PR1RXFP1SIRT2GAAMRGPRX4
SCHEMBL1563228 0.90 S1PR1 (0.33) S1PR1RXFP1SIRT2GPR52
SCHEMBL3303434 0.88 S1PR1 (0.35) S1PR1PPARGRXFP1SIRT2GAA
SCHEMBL3303426 0.88 S1PR1 (0.35) S1PR1PPARGRXFP1SIRT2GAA
SCHEMBL4418760 0.86 S1PR1 (0.39) S1PR1RXFP1SIRT2GAAMRGPRX4
SCHEMBL4418757 0.86 S1PR1 (0.39) S1PR1RXFP1SIRT2GAAMRGPRX4

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 S1PR1 1/4885PPARG 1695/4885RXFP1 393/4885

“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.