SCHEMBL1372971

SCHEMBL1372971

O=C(Cc1cccs1)N[C@@H](COCc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 14/20 0.64
CTSS P25774 1/20 0.48
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.45
TAOK1 Q7L7X3 1/20 0.44
TAOK3 Q9H2K8 1/20 0.44
PKM P14618 1/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL1372329 1.00 S1PR1 (0.64) S1PR1CTSSPOLBMAPTTAOK1
SCHEMBL1375737 0.92 S1PR1 (0.60) S1PR1CTSSTAOK1TAOK3RAB9A
SCHEMBL1376199 0.90 S1PR1 (0.58) S1PR1CTSSMAPTTAOK1TAOK3
SCHEMBL12044808 0.88 S1PR1 (0.73) S1PR1MAPTTAOK1TAOK3RAB9A
SCHEMBL13392751 0.85 S1PR1 (0.73) S1PR1TAOK1TAOK3RAB9A
SCHEMBL1375242 0.85 S1PR1 (0.64) S1PR1CTSSMAPTTAOK1TAOK3
SCHEMBL12044870 0.85 S1PR1 (0.65) S1PR1POLBMAPTTAOK1TAOK3
SCHEMBL2365173 0.83 S1PR1 (0.74) S1PR1TAOK1TAOK3RAB9A
SCHEMBL12044801 0.83 S1PR1 (0.73) S1PR1MAPTTAOK1TAOK3RAB9A
SCHEMBL12044399 0.83 S1PR1 (0.55) S1PR1CTSSTAOK1TAOK3RAB9A

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
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
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 (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 1/4885CTSS 2920/4885POLB 898/4885
US-20110288076-A1 Sphingosine-1-Phosphate Receptor Antagonists S1PR1, S1PR2, S1PR3 S1PR1 1/4885CTSS 3141/4885POLB 2626/4885

“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.