SCHEMBL1375609

SCHEMBL1375609

N[C@@H](CCc1ccccc1)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 10/20 0.56
PPARG P37231 1/20 0.51
PPARA Q07869 1/20 0.51
FNTA P49354 2/20 0.50
FNTB P49356 2/20 0.50
NPY5R Q15761 2/20 0.50
NPC1 O15118 1/20 0.49
CNR1 P21554 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
S1PR1 P21453 1/20 0.48

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
SCHEMBL1375610 1.00 LTA4H (0.56) LTA4HPPARGPPARAFNTAFNTB
SCHEMBL27858267 0.88 LTA4H (0.56) LTA4HFNTAFNTBNPY5R
SCHEMBL1374838 0.88 NPY5R (0.58) LTA4HPPARGPPARAFNTAFNTB
SCHEMBL1374841 0.88 NPY5R (0.58) LTA4HPPARGPPARAFNTAFNTB
SCHEMBL1373888 0.85 LTA4H (0.62) LTA4HNPY5RS1PR1
SCHEMBL1373889 0.85 LTA4H (0.62) LTA4HNPY5RS1PR1
SCHEMBL8508382 0.83 MMP8 (0.53) LTA4HPPARGPPARAFNTAFNTB
SCHEMBL1372246 0.83 S1PR1 (0.58) LTA4HFNTAFNTBNPY5RS1PR1
SCHEMBL1372249 0.83 S1PR1 (0.58) LTA4HFNTAFNTBNPY5RS1PR1
SCHEMBL15143051 0.83 LTA4H (0.56) LTA4HNPC1RAB9ASMN1; SMN2

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
US-8791102-B2 Acetanilide sphingosine-1-phosphate receptor antagonists EXELIXIS, INC. (US) 2014-07-29 US disclosed
US-20110288076-A1 Sphingosine-1-Phosphate Receptor Antagonists EXELIXIS, INC. (US) 2011-11-24 US disclosed
CN-102256944-A Sphingosine-1-phosphate receptor antagonists EXELIXIS INC 2011-11-23 CN 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-20110288076-A1 Sphingosine-1-Phosphate Receptor Antagonists S1PR1, S1PR2, S1PR3 LTA4H 1113/4885PPARG 2471/4885PPARA 1880/4885

“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.