SCHEMBL1373227

SCHEMBL1373227

CC(C)CC(=O)NC(COCc1ccccc1)C(=O)Nc1ccc(Oc2ccc(F)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 11/20 0.68
FNTA P49354 1/20 0.47
FNTB P49356 1/20 0.47
TAOK1 Q7L7X3 1/20 0.47
TAOK3 Q9H2K8 1/20 0.47
MTNR1B P49286 1/20 0.46
LTA4H P09960 1/20 0.45
POLB P06746 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
MMP9 P14780 1/20 0.43
MMP14 P50281 1/20 0.43

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
SCHEMBL1373224 1.00 S1PR1 (0.68) S1PR1FNTAFNTBTAOK1TAOK3
SCHEMBL1372397 0.90 S1PR1 (0.75) S1PR1FNTAFNTBTAOK1TAOK3
SCHEMBL1372399 0.90 S1PR1 (0.75) S1PR1FNTAFNTBTAOK1TAOK3
SCHEMBL15905740 0.88 S1PR1 (0.68) S1PR1FNTAFNTBTAOK1TAOK3
SCHEMBL13392750 0.88 S1PR1 (0.70) S1PR1FNTAFNTBTAOK1TAOK3
SCHEMBL1374455 0.88 S1PR1 (0.70) S1PR1FNTAFNTBTAOK1TAOK3
SCHEMBL1374454 0.88 S1PR1 (0.70) S1PR1FNTAFNTBTAOK1TAOK3
SCHEMBL1376149 0.86 S1PR1 (0.68) S1PR1TAOK1TAOK3
SCHEMBL1373507 0.86 S1PR1 (0.59) S1PR1FNTAFNTBTAOK1TAOK3
SCHEMBL1373503 0.86 S1PR1 (0.59) S1PR1FNTAFNTBTAOK1TAOK3

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 6 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-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-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 1/4885FNTA 1551/4885FNTB 1309/4885
US-20110288076-A1 Sphingosine-1-Phosphate Receptor Antagonists S1PR1, S1PR2, S1PR3 S1PR1 1/4885FNTA 1554/4885FNTB 1049/4885

“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.