SCHEMBL1373889

SCHEMBL1373889

NC(CCCc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 12/20 0.62
S1PR1 P21453 1/20 0.55
NPY5R Q15761 1/20 0.53
SPHK1 Q9NYA1 3/20 0.52
SPHK2 Q9NRA0 1/20 0.51
HDAC1 Q13547 1/20 0.51

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
SCHEMBL1373888 1.00 LTA4H (0.62) LTA4HS1PR1NPY5RSPHK1SPHK2
SCHEMBL1371813 0.93 LTA4H (0.57) LTA4HS1PR1SPHK1SPHK2
SCHEMBL1371811 0.93 LTA4H (0.57) LTA4HS1PR1SPHK1SPHK2
SCHEMBL1375610 0.85 LTA4H (0.56) LTA4HS1PR1NPY5R
SCHEMBL1375609 0.85 LTA4H (0.56) LTA4HS1PR1NPY5R
SCHEMBL27858267 0.85 LTA4H (0.56) LTA4HNPY5R
SCHEMBL20253481 0.82 LTA4H (0.66) LTA4HS1PR1
SCHEMBL20238754 0.82 LTA4H (0.66) LTA4HS1PR1
SCHEMBL1372073 0.80 S1PR1 (0.62) LTA4HS1PR1
SCHEMBL1372071 0.80 S1PR1 (0.62) LTA4HS1PR1

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 2 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

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 1113/4885S1PR1 1/4885NPY5R 966/4885

“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.