SCHEMBL4335796

SCHEMBL4335796

CC(N)(CCCc1ccc(Oc2cccc(C(F)(F)F)c2)cc1Cl)CP(=O)(O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 6/20 0.42
TLR8 Q9NR97 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
FDFT1 P37268 1/20 0.38
KDM4E B2RXH2 1/20 0.37
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
CETP P11597 2/20 0.37
S1PR3 Q99500 1/20 0.37
CHEK2 O96017 1/20 0.36
HTR2A P28223 2/20 0.36
SLC6A4 P31645 2/20 0.36
KCNH2 Q12809 2/20 0.36
ACP3 P15309 1/20 0.36
PPARG P37231 2/20 0.36
PPARD Q03181 2/20 0.36
PPARA Q07869 2/20 0.36
PIM1 P11309 1/20 0.35
PDGFRA P16234 1/20 0.35
S1PR5 Q9H228 1/20 0.35

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
SCHEMBL4335792 1.00 S1PR1 (0.42) S1PR1TLR8TLR7FDFT1KDM4E
SCHEMBL4340937 0.95 S1PR1 (0.43) S1PR1TLR8TLR7FDFT1KDM4E
SCHEMBL4340945 0.95 S1PR1 (0.43) S1PR1TLR8TLR7FDFT1KDM4E
SCHEMBL1563758 0.89 S1PR1 (0.48) S1PR1TLR8TLR7FDFT1KDM4E
SCHEMBL11888781 0.89 S1PR1 (0.51) S1PR1TLR8TLR7CETPS1PR3
SCHEMBL11888769 0.89 S1PR1 (0.51) S1PR1TLR8TLR7CETPS1PR3
SCHEMBL4423227 0.87 S1PR1 (0.44) S1PR1S1PR3
SCHEMBL4423223 0.87 S1PR1 (0.44) S1PR1S1PR3
SCHEMBL3304331 0.87 S1PR1 (0.41) S1PR1TLR8TLR7THRATHRB
SCHEMBL3304322 0.87 S1PR1 (0.41) S1PR1TLR8TLR7THRATHRB

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 5 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-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 1/4885TLR8 2323/4885TLR7 2381/4885

“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.