SCHEMBL4335795

SCHEMBL4335795

C[C@@](N)(CCCc1ccc(Oc2cccc(C(F)(F)F)c2)cc1Cl)CO[PH](=O)OC[C@](C)(N)CCCc1ccc(Oc2cccc(C(F)(F)F)c2)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
S1PR1 P21453 4/20 0.37
HTR2A P28223 3/20 0.36
SLC6A4 P31645 3/20 0.36
KCNH2 Q12809 3/20 0.36
CETP P11597 2/20 0.35
CHEK2 O96017 1/20 0.35
LTA4H P09960 1/20 0.34
KIF11 P52732 1/20 0.34
FDFT1 P37268 1/20 0.34
PIM1 P11309 1/20 0.34
PDGFRA P16234 1/20 0.34
S1PR5 Q9H228 1/20 0.34
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PPARG P37231 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
SCHEMBL4340940 0.95 TLR8 (0.38) TLR8TLR7S1PR1HTR2ASLC6A4
SCHEMBL4423225 0.87 ALDH1A1 (0.40) S1PR1LTA4HALDH1A1L3MBTL1
SCHEMBL3304331 0.85 S1PR1 (0.41) TLR8TLR7S1PR1HTR2ASLC6A4
SCHEMBL3304322 0.85 S1PR1 (0.41) TLR8TLR7S1PR1HTR2ASLC6A4
SCHEMBL11888769 0.85 S1PR1 (0.51) TLR8TLR7S1PR1CETPCHEK2
SCHEMBL11888781 0.85 S1PR1 (0.51) TLR8TLR7S1PR1CETPCHEK2
SCHEMBL4341368 0.84 S1PR1 (0.42) S1PR1FDFT1ALDH1A1PPARGPPARA
Hydrochloric Acid SCHEMBL3308627 0.84 S1PR1 (0.41) TLR8TLR7S1PR1HTR2ASLC6A4
Hydrochloric Acid SCHEMBL3308618 0.84 S1PR1 (0.41) TLR8TLR7S1PR1HTR2ASLC6A4
SCHEMBL4329191 0.83 S1PR1 (0.39) S1PR1SLC6A4ALDH1A1POLBL3MBTL1

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 TLR8 2323/4885TLR7 2381/4885S1PR1 1/4885

“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.