SCHEMBL1374282

SCHEMBL1374282

O=C(NC(COCc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1)c1ccc2[nH]cnc2c1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 14/20 0.61
JAK2 O60674 1/20 0.42
TAOK1 Q7L7X3 1/20 0.42
TAOK3 Q9H2K8 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
GPR132 Q9UNW8 1/20 0.39

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
SCHEMBL1371827 0.84 S1PR1 (0.59) S1PR1JAK2TAOK1TAOK3NPC1
SCHEMBL1376249 0.83 S1PR1 (0.64) S1PR1TAOK1TAOK3NPC1RAB9A
SCHEMBL1375523 0.83 S1PR1 (0.60) S1PR1JAK2TAOK1TAOK3
SCHEMBL2353153 0.82 S1PR1 (0.72) S1PR1TAOK1TAOK3NPC1RAB9A
SCHEMBL13393047 0.82 S1PR1 (0.68) S1PR1TAOK1TAOK3NPC1RAB9A
SCHEMBL3126793 0.82 S1PR1 (0.68) S1PR1TAOK1TAOK3NPC1RAB9A
SCHEMBL1376009 0.81 S1PR1 (0.62) S1PR1TAOK1TAOK3KMT2A
SCHEMBL1374302 0.80 S1PR1 (0.63) S1PR1TAOK1TAOK3NPC1RAB9A
SCHEMBL1375135 0.80 S1PR1 (0.64) S1PR1JAK2TAOK1TAOK3
SCHEMBL1375970 0.80 S1PR1 (0.59) S1PR1JAK2TAOK1TAOK3

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 11 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
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
EP-2346821-A1 SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS Exelixis, Inc. (US) 2011-07-27 EP disclosed
WO-2010045580-A1 SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS EXELIXIS, INC. (US) 2010-04-22 WO 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 1/4885JAK2 3107/4885TAOK1 1772/4885
US-20110288076-A1 Sphingosine-1-Phosphate Receptor Antagonists S1PR1, S1PR2, S1PR3 S1PR1 1/4885JAK2 2622/4885TAOK1 2953/4885

“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.