SCHEMBL1375892

SCHEMBL1375892

O=C(Cc1cccc(OC(F)(F)F)c1)N[C@@H](COCc1ccccc1)C(=O)Nc1ccc(Oc2ccc(F)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 12/20 0.64
BRAF P15056 1/20 0.47
MAPK14 Q16539 1/20 0.46
FPR2 P25090 1/20 0.44
LTA4H P09960 1/20 0.43
EPHX2 P34913 1/20 0.43
P2RY14 Q15391 1/20 0.42

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
SCHEMBL1375893 1.00 S1PR1 (0.64) S1PR1BRAFMAPK14FPR2LTA4H
SCHEMBL1372397 0.89 S1PR1 (0.75) S1PR1LTA4HEPHX2
SCHEMBL1372399 0.89 S1PR1 (0.75) S1PR1LTA4HEPHX2
SCHEMBL27840719 0.89 S1PR1 (0.65) S1PR1BRAFMAPK14
SCHEMBL27840718 0.89 S1PR1 (0.65) S1PR1BRAFMAPK14
SCHEMBL13392734 0.87 S1PR1 (0.63) S1PR1LTA4HEPHX2
SCHEMBL1371680 0.86 S1PR1 (0.67) S1PR1
SCHEMBL13393039 0.86 S1PR1 (0.67) S1PR1
SCHEMBL1371677 0.86 S1PR1 (0.67) S1PR1
SCHEMBL1375160 0.85 S1PR1 (0.63) S1PR1LTA4HEPHX2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8802692-B2 Synergistic effects between sphingosine-1-phosphate receptor antagonists and antimicrotubule agents EXELIXIS, INC. (US) 2014-08-12 US claimed
US-8802692-B2 Synergistic effects between sphingosine-1-phosphate receptor antagonists and antimicrotubule agents EXELIXIS, INC. (US) 2014-08-12 US disclosed
US-8802692-B2 Synergistic effects between sphingosine-1-phosphate receptor antagonists and antimicrotubule agents EXELIXIS, INC. (US) 2014-08-12 US disclosed
US-8791102-B2 Acetanilide sphingosine-1-phosphate receptor antagonists EXELIXIS, INC. (US) 2014-07-29 US disclosed
US-8791102-B2 Acetanilide sphingosine-1-phosphate receptor antagonists EXELIXIS, INC. (US) 2014-07-29 US disclosed
CN-102245174-B Synergistic effects between sphingosine-1-phosphate receptor antagonists and antimicrotubule agents EXELIXIS INC 2013-11-06 CN disclosed
US-20110301188-A1 Synergistic Effects Between Sphingosine-1-Phosphate Receptor Antagonists and Antimicrotubule Agents EXELIXIS, INC. (US) 2011-12-08 US disclosed
US-20110301188-A1 Synergistic Effects Between Sphingosine-1-Phosphate Receptor Antagonists and Antimicrotubule Agents EXELIXIS, INC. (US) 2011-12-08 US disclosed
US-20110288076-A1 Sphingosine-1-Phosphate Receptor Antagonists EXELIXIS, INC. (US) 2011-11-24 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 (2 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-20110301188-A1 Synergistic Effects Between Sphingosine-1-Phosphate Receptor Antagonists and Antimicrotubule Agents S1PR1, S1PR3, S1PR2 S1PR1 1/4885BRAF 1044/4885MAPK14 2177/4885
US-20110288076-A1 Sphingosine-1-Phosphate Receptor Antagonists S1PR1, S1PR2, S1PR3 S1PR1 1/4885BRAF 1071/4885MAPK14 3746/4885

“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.